SCHEMBL1388034

SCHEMBL1388034

Clc1ccc(Cn2cnc(NC3CCCC3)c3nc(C4CC4)nc2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CHRM3 P20309 3/20 0.40
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
YTHDC1 Q96MU7 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
OGG1 O15527 1/20 0.38
MCHR1 Q99705 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PDE8B O95263 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
CCNA2 P20248 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7025889 0.99 PDE10A (0.42) PDE10ACTSLCTSBCHRM3PDE4A
SCHEMBL7384840 0.83 ADORA3 (0.40) CTSLCTSBCHRM3PDE4APDE4B
SCHEMBL1387905 0.82 CHRM3 (0.48) PDE10ACTSLCTSBCHRM3PDE4A
Hydrochloric Acid SCHEMBL7027686 0.81 CHRM3 (0.47) PDE10ACTSLCTSBCHRM3PDE4A
SCHEMBL5964495 0.80 CTSL (0.47) PDE10ACTSLCTSBCHRM3PDE4A
Hydrochloric Acid SCHEMBL6158151 0.79 CTSL (0.47) PDE10ACTSLCTSBCHRM3PDE4A
SCHEMBL6154053 0.78 YTHDC1 (0.41) CTSLCTSBCHRM3PDE4APDE4B
SCHEMBL7381492 0.78 CHRM3 (0.44) PDE10ACTSLCTSBCHRM3PDE4A
SCHEMBL8397096 0.76 CTSL (0.41) PDE10ACTSLCTSBCHRM3PDE4A
SCHEMBL1387934 0.75 PDE4A (0.42) CTSLCTSBCHRM3PDE4APDE4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912575-B1 PROCESSES FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2005-02-02 EP claimed
EP-0916673-B1 6-Amino purine derivatives having PDE-IV inhibition activity EURO CELTIQUE SA (LU) 2003-01-29 EP claimed
EP-0912575-A4 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2001-04-25 EP claimed
US-5939422-A AN ENZYME INHIBITOR AS BRONCHODILATOR, RELAXANTS, ANTIINFLAMMATORY AGENT FOR TREATING ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, DISEASES ASSOCIATED WITH ABNORMAL HIGH LEVEL OF CYTOKINE EURO-CELTIQUE, S.A. (LU) 1999-08-17 US claimed
EP-0916673-A1 6-Amino purine derivatives having PDE-IV inhibition activity Euroceltique S.A. (LU) 1999-05-19 EP claimed
EP-0912575-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY Euro-Celtique S.A. (LU) 1999-05-06 EP claimed
US-5864037-A Methods for the synthesis of chemical compounds having PDE-IV inhibitory activity EURO-CELTIQUE, S.A. (LU) 1999-01-26 US claimed
WO-1997046561-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO-CELTIQUE, S.A. (LU) 1997-12-11 WO claimed
JP-H09500376-A 1997-01-14 JP claimed
WO-1995000516-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 1995-01-05 WO claimed
EP-0912575-B1 PROCESSES FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2005-02-02 EP disclosed
EP-0916673-B1 6-Amino purine derivatives having PDE-IV inhibition activity EURO CELTIQUE SA (LU) 2003-01-29 EP disclosed
EP-1169321-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US disclosed
EP-1169321-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2002-01-09 EP disclosed
US-5939422-A AN ENZYME INHIBITOR AS BRONCHODILATOR, RELAXANTS, ANTIINFLAMMATORY AGENT FOR TREATING ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, DISEASES ASSOCIATED WITH ABNORMAL HIGH LEVEL OF CYTOKINE EURO-CELTIQUE, S.A. (LU) 1999-08-17 US disclosed
EP-0912575-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY Euro-Celtique S.A. (LU) 1999-05-06 EP disclosed
US-5864037-A Methods for the synthesis of chemical compounds having PDE-IV inhibitory activity EURO-CELTIQUE, S.A. (LU) 1999-01-26 US disclosed
WO-1997046561-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO-CELTIQUE, S.A. (LU) 1997-12-11 WO disclosed
WO-1995000516-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 1995-01-05 WO disclosed