SCHEMBL5956949

SCHEMBL5956949

C#Cc1ccc(NC(=O)N2C[C@H](OC)C[C@H]2C(=O)Nc2ccc(-n3cccc(C)c3=O)cc2F)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.67
KLKB1 P03952 1/20 0.43

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
SCHEMBL5956856 1.00 F10 (0.67) F10KLKB1
SCHEMBL3833371 0.90 F10 (0.81) F10KLKB1
SCHEMBL3833572 0.90 F10 (0.81) F10KLKB1
SCHEMBL5956927 0.90 F10 (0.81) F10
SCHEMBL5956914 0.90 F10 (0.52) F10KLKB1
SCHEMBL8467017 0.84 F10 (0.69) F10KLKB1
SCHEMBL3834852 0.84 F10 (0.84) F10KLKB1
SCHEMBL3835019 0.83 F10 (0.79) F10KLKB1
SCHEMBL3835021 0.83 F10 (0.79) F10KLKB1
SCHEMBL3828719 0.83 F10 (0.81) 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