SCHEMBL7385696

SCHEMBL7385696

COc1ccc(/C=C/Cc2coc3ccc(C#N)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.45
MAOA P21397 7/20 0.45
MTNR1A P48039 3/20 0.38
NQO2 P16083 1/20 0.38
MTNR1B P49286 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL7385698 1.00 MAOB (0.45) MAOBMAOAMTNR1ANQO2MTNR1B
SCHEMBL7387443 0.77 MTNR1A (0.45) MAOBMAOAMTNR1ANQO2MTNR1B
SCHEMBL8470899 0.76 APP (0.42) MAOBMAOA
SCHEMBL8470896 0.76 APP (0.42) MAOBMAOA
SCHEMBL8161586 0.71 MTNR1A (0.53) MAOBMAOAMTNR1ANQO2MTNR1B
SCHEMBL5492358 0.69 RELA (0.59) NQO2
SCHEMBL5492365 0.69 RELA (0.59) NQO2
SCHEMBL14578273 0.69 MTNR1A (0.45) MTNR1A
SCHEMBL7388640 0.69 CYP2A6 (0.42)
SCHEMBL14155120 0.67 MTNR1A (0.43) MTNR1AMTNR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 EP disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP disclosed