SCHEMBL5956980

SCHEMBL5956980

C#Cc1ccc(NC(=O)N2C[C@H](OC)C[C@@H]2C(=O)Nc2ccc(-n3cc(C)ccc3=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.51
KLKB1 P03952 1/20 0.37
CFD P00746 2/20 0.36
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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 0.88 F10 (0.65) F10KLKB1CFD
SCHEMBL5956914 0.84 F10 (0.52) F10KLKB1CFDCYP2C9CYP2C19
SCHEMBL5957003 0.84 F10 (0.48) F10KLKB1CFDCYP2C9CYP2C19
SCHEMBL3832155 0.79 F10 (0.80) F10KLKB1
SCHEMBL5956996 0.79 F10 (0.54) F10
SCHEMBL5956902 0.78 F10 (0.44) F10KLKB1CFDCYP2C9CYP2C19
SCHEMBL5956927 0.78 F10 (0.81) F10
SCHEMBL5956946 0.78 F10 (0.67) F10
SCHEMBL5956936 0.77 F10 (0.57) F10KLKB1CFDCYP2C9CYP2C19
SCHEMBL14039721 0.77 F10 (0.55) F10KLKB1CFDCYP2C9CYP2C19

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