SCHEMBL5956956

SCHEMBL5956956

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.61
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL5956913 0.90 F10 (0.54) F10MEN1KMT2A
SCHEMBL76950 0.90 F10 (0.77) F10POLB
SCHEMBL5956960 0.88 F10 (0.65) F10MEN1KMT2A
SCHEMBL5956976 0.88 F10 (0.45) F10POLBMEN1KMT2ACYP3A4
SCHEMBL5956864 0.88 MEN1 (0.52) F10MEN1KMT2ACYP3A4CYP2C9
SCHEMBL5956981 0.88 F10 (0.79) F10
SCHEMBL5956966 0.87 F10 (0.44) F10POLBMEN1KMT2ACYP3A4
SCHEMBL4450640 0.86 F10 (0.50) F10
SCHEMBL4446410 0.86 F10 (0.50) F10
SCHEMBL4446412 0.86 F10 (0.50) 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