SCHEMBL1387933

SCHEMBL1387933

CCNc1ncn(CC2CCCCC2)c2nc(C3CC3)nc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.41
PDE10A Q9Y233 2/20 0.40
CYP11B2 P19099 1/20 0.35
CHRM3 P20309 5/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
PDE1C Q14123 4/20 0.33
PDE1A P54750 3/20 0.33
PDE1B Q01064 3/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
CNR2 P34972 2/20 0.31
CTSL P07711 1/20 0.31

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 SCHEMBL7027845 0.99 YTHDC1 (0.40) YTHDC1PDE10ACYP11B2CHRM3PDE4A
SCHEMBL1388397 0.94 PDE10A (0.43) YTHDC1PDE10ACYP11B2CHRM3PDE4A
Hydrochloric Acid SCHEMBL7030283 0.93 PDE10A (0.42) YTHDC1PDE10ACYP11B2CHRM3PDE4A
SCHEMBL1388108 0.85 PDE10A (0.41) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL5964670 0.85 PDE10A (0.46) PDE10ACHRM3PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7028777 0.84 PDE10A (0.40) PDE10ACHRM3PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7326791 0.84 PDE10A (0.45) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL8397136 0.84 CTSL (0.35) YTHDC1PDE10ACHRM3PDE4APDE4B
SCHEMBL1388150 0.83 PDE10A (0.44) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL8978408 0.83 YTHDC1 (0.40) YTHDC1CYP11B2CHRM3PDE4APDE4B

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 31 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
CN-1045778-C Novel chemical compounds having PDE-IV inhibition activity EURO CELTIQUE SA (LU) 1999-10-20 CN 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
CN-1125445-A Novel compounds having P.DE-IV inhibitory activity EURO CELTIQUE SA (LU) 1996-06-26 CN claimed
EP-0705265-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY Euroceltique S.A. (LU) 1996-04-10 EP 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
CN-1377353-A Purine derivatives having phosphodiesterase IN inhibition activity EURO CELTIQUE SA (LU) 2002-10-30 CN 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
CN-1125445-A Novel compounds having P.DE-IV inhibitory activity EURO CELTIQUE SA (LU) 1996-06-26 CN disclosed
WO-1995000516-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 1995-01-05 WO disclosed