SCHEMBL5956902

SCHEMBL5956902

C#Cc1ccc(NC(=O)N2C[C@H](OC)C[C@@H]2C(=O)Nc2ccc(N3CC(O)CC3C(=O)OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.44
POLB P06746 2/20 0.37
KLKB1 P03952 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CFD P00746 2/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5956969 0.80 F10 (0.65) F10KLKB1CFD
SCHEMBL5956980 0.78 F10 (0.51) F10KLKB1CFDCYP2C9CYP2C19
SCHEMBL5956914 0.78 F10 (0.52) F10KLKB1MEN1KMT2ACFD
SCHEMBL5957003 0.78 F10 (0.48) F10POLBKLKB1KMT2ACFD
SCHEMBL5956946 0.77 F10 (0.67) F10POLB
SCHEMBL28189020 0.76 POLB (0.54) F10POLBKLKB1MEN1KMT2A
SCHEMBL12101335 0.75 F10 (0.41) F10KLKB1CFDCYP2C9CYP2C19
SCHEMBL8230607 0.75 F10 (0.41) F10KLKB1CFDCYP2C9CYP2C19
SCHEMBL12101339 0.75 F10 (0.41) F10POLBKLKB1MEN1KMT2A
SCHEMBL3591919 0.74 POLB (0.43) F10POLBKLKB1MEN1KMT2A

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