SCHEMBL5956936

SCHEMBL5956936

C#Cc1ccc(NC(=O)N2C[C@H](OC)C[C@@H]2C(=O)Nc2ccc(-n3ccccc3=O)c(OC)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.57
CFD P00746 2/20 0.38
KLKB1 P03952 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL5956969 0.89 F10 (0.65) F10CFDKLKB1
SCHEMBL5956927 0.84 F10 (0.81) F10
SCHEMBL5956979 0.82 F10 (0.54) F10
SCHEMBL5956996 0.80 F10 (0.54) F10
SCHEMBL5956914 0.78 F10 (0.52) F10CFDKLKB1CYP2C9CYP2C19
SCHEMBL76485 0.77 F10 (0.81) F10
SCHEMBL5956980 0.77 F10 (0.51) F10CFDKLKB1ALDH1A1CYP2C9
SCHEMBL5956942 0.76 F10 (0.49) F10KLKB1
SCHEMBL5956856 0.74 F10 (0.67) F10KLKB1
SCHEMBL5956949 0.74 F10 (0.67) F10KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633346-B1 PYRROLIDIN-1, 2- DICARBOXYLIC ACID- 1- (4- ETHINYL- PHENYL) - AMID|- 2- (PHENYL)- AMID| DERIVATIVE AS INHIBITORS OF COAGULATION FACTOR XA AND VIIA FOR THE TREATMENT OF THROMBOSIS MERCK PATENT GMBH (DE) 2006-08-23 EP claimed