SCHEMBL5956927

SCHEMBL5956927

C#Cc1ccc(NC(=O)N2C[C@H](OC)C[C@@H]2C(=O)Nc2ccc(-n3ccccc3=O)cc2F)cc1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.81

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
SCHEMBL5956949 0.90 F10 (0.67) F10
SCHEMBL5956856 0.90 F10 (0.67) F10
Eribaxaban SCHEMBL16436969 0.90 F10 (1.00) F10
Eribaxaban SCHEMBL76436 0.90 F10 (1.00) F10
Eribaxaban SCHEMBL17294640 0.90 F10 (1.00) F10
SCHEMBL5956969 0.90 F10 (0.65) F10
SCHEMBL5956936 0.84 F10 (0.57) F10
SCHEMBL14039720 0.82 F10 (0.73) F10
SCHEMBL5956904 0.82 F10 (0.56) F10
SCHEMBL3832117 0.81 F10 (0.84) F10

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