SCHEMBL5956942

SCHEMBL5956942

C#Cc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)Nc2ccc(-n3ccccc3=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KLKB1 P03952 1/20 0.38

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
SCHEMBL79092 0.87 F10 (0.62) F10KLKB1
SCHEMBL5956969 0.87 F10 (0.65) F10KLKB1
SCHEMBL5956996 0.85 F10 (0.54) F10
SCHEMBL5956903 0.83 CYP2C9 (0.53) MEN1KMT2A
SCHEMBL77805 0.83 F10 (0.57) F10MEN1KMT2A
SCHEMBL4444857 0.83 F10 (0.44) F10
SCHEMBL4444861 0.83 F10 (0.44) F10
SCHEMBL4447297 0.83 F10 (0.44) F10
SCHEMBL5956933 0.80 F10 (0.58) F10MEN1KMT2AKLKB1
SCHEMBL5956923 0.79 F10 (0.57) F10MEN1KMT2AKLKB1

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