SCHEMBL1388397

SCHEMBL1388397

CCNc1ncn(CC2CC2)c2nc(C3CC3)nc1-2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.43
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
YTHDC1 Q96MU7 1/20 0.33
CHRM3 P20309 2/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
CYP11B2 P19099 1/20 0.32
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30

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 SCHEMBL7030283 0.99 PDE10A (0.42) PDE10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL1387933 0.94 YTHDC1 (0.41) PDE10AMAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL7027845 0.93 YTHDC1 (0.40) PDE10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL5964670 0.88 PDE10A (0.46) PDE10ACHRM3PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7326791 0.87 PDE10A (0.45) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1388150 0.86 PDE10A (0.44) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL8394696 0.85 PDE10A (0.33) PDE10A
Hydrochloric Acid SCHEMBL7022609 0.85 PDE10A (0.43) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1388261 0.84 PDE10A (0.42) PDE10A
SCHEMBL1388108 0.84 PDE10A (0.41) PDE10ACHRM3PDE4APDE4BPDE4C

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 34 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
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
EP-0705265-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY Euroceltique S.A. (LU) 1996-04-10 EP disclosed
WO-1995000516-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 1995-01-05 WO disclosed