SCHEMBL5956960

SCHEMBL5956960

C#Cc1ccc(NC(=O)N2C[C@H](OCC)C[C@@H]2C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.65
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5956995 0.92 F10 (0.65) F10
SCHEMBL5956997 0.92 F10 (0.65) F10
SCHEMBL5956913 0.92 F10 (0.54) F10MEN1KMT2A
SCHEMBL76404 0.90 F10 (0.80) F10
SCHEMBL5956909 0.90 F10 (0.81) F10
SCHEMBL5956931 0.90 F10 (0.81) F10
SCHEMBL5956956 0.88 F10 (0.61) F10MEN1KMT2A
SCHEMBL5956910 0.85 F10 (0.67) F10
SCHEMBL5956864 0.84 MEN1 (0.52) F10MEN1KMT2A
SCHEMBL5956955 0.83 F10 (0.69) 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