SCHEMBL7306501

SCHEMBL7306501

CCC1c2cc(NC(=O)c3ccc(C#N)cc3)ccc2CCC1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.52
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR1 P03372 1/20 0.43
LRRK2 Q5S007 1/20 0.43
RORC P51449 3/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
KLKB1 P03952 1/20 0.42
PRSS1 P07477 1/20 0.42
ROCK2 O75116 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL7297140 0.94 MCHR1 (0.47) MCHR1ITGB3ITGA2BRORCNAMPT
SCHEMBL7298694 0.86 ITGB3 (0.47) MCHR1ITGB3ITGA2B
SCHEMBL7298316 0.82 ITGB3 (0.43) MCHR1ITGB3ITGA2BF2PLG
SCHEMBL7303281 0.82 PGR (0.40) MCHR1MEN1NPC1KMT2A
SCHEMBL7395359 0.80 RAB9A (0.43) MCHR1ITGB3ITGA2BNPC1RAB9A
SCHEMBL7312190 0.80 MCHR1 (0.47) MCHR1ITGB3ITGA2BLRRK2RORC
SCHEMBL7442101 0.80 RAB9A (0.45) MCHR1ITGB3ITGA2BNPC1RAB9A
SCHEMBL7431007 0.80 ITGB3 (0.41) ITGB3ITGA2BMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL7388899 0.80 RAB9A (0.42) MCHR1ITGB3ITGA2BNPC1RAB9A
Hydrochloric Acid SCHEMBL7391203 0.79 ITGB3 (0.41) ITGB3ITGA2BMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5719145-A FIBRINOGEN ANTAGONIST FOR TREATMENT OF THROMBOSIS, RESTENOSIS AFTER ANGIOPLASTY OR CORONARY RECANALIZATION; WATER SOLUBILITY, ORAL ADMINISTRATION MITSUI TOATSU CHEMICALS, INC. (JP) 1998-02-17 US disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed