SCHEMBL7387443

SCHEMBL7387443

COc1ccc(CCCc2coc3ccc(C#N)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.45
MTNR1B P49286 3/20 0.45
NQO2 P16083 1/20 0.45
MAOB P27338 2/20 0.42
HTR1A P08908 1/20 0.41
MAPT P10636 1/20 0.41
PDE5A O76074 1/20 0.41
GSK3B P49841 1/20 0.41
CALM1 P0DP23 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL7391809 0.84 CYP19A1 (0.42) MTNR1AMAOBHTR1AMAOA
SCHEMBL14155120 0.79 MTNR1A (0.43) MTNR1AMTNR1BHTR1A
SCHEMBL7385698 0.77 MAOB (0.45) MTNR1AMTNR1BNQO2MAOBGSK3B
SCHEMBL7385696 0.77 MAOB (0.45) MTNR1AMTNR1BNQO2MAOBGSK3B
SCHEMBL14578273 0.76 MTNR1A (0.45) MTNR1AHTR1A
SCHEMBL8469405 0.75 HTR2B (0.48) MAOBHTR1ACALM1MAOA
SCHEMBL10568774 0.74 MAOA (0.61) MAOBMAPTCALM1MAOA
SCHEMBL10567002 0.73 TSHR (0.60) MAOBMAPTCALM1MAOA
SCHEMBL8033341 0.71 MTNR1A (0.59) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL20053881 0.71 MAOB (0.65) MAOBMAPTCALM1MAOA

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