SCHEMBL5956904

SCHEMBL5956904

C#Cc1ccc(NC(=O)N2C[C@H](OC)C[C@@H]2C(=O)Nc2ccc(N3CCOCC3=O)cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.56
MTOR P42345 1/20 0.41
KLKB1 P03952 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
SCHEMBL5956912 0.92 F10 (0.54) F10MTOR
SCHEMBL5956910 0.92 F10 (0.67) F10MTOR
SCHEMBL5956908 0.92 F10 (0.57) F10MTOR
SCHEMBL5956932 0.91 F10 (0.58) F10MTOR
SCHEMBL5956894 0.91 F10 (0.58) F10MTOR
SCHEMBL77467 0.90 F10 (0.58) F10MTORKLKB1
SCHEMBL76109 0.90 F10 (0.68) F10KLKB1
SCHEMBL5956946 0.90 F10 (0.67) F10
SCHEMBL5956961 0.90 F10 (0.64) F10MTORKLKB1
SCHEMBL5956916 0.89 F10 (0.55) F10MTORKLKB1

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