SCHEMBL5956914

SCHEMBL5956914

C#Cc1ccc(NC(=O)N2C[C@H](OC)C[C@@H]2C(=O)Nc2ccc(-n3cccc(C)c3=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.52
KLKB1 P03952 1/20 0.38
CFD P00746 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL14039721 0.90 F10 (0.55) F10KLKB1CFDMEN1KMT2A
SCHEMBL5956856 0.90 F10 (0.67) F10KLKB1
SCHEMBL5956949 0.90 F10 (0.67) F10KLKB1
SCHEMBL5956969 0.89 F10 (0.65) F10KLKB1CFD
SCHEMBL3830165 0.89 F10 (0.65) F10KLKB1
SCHEMBL5956980 0.84 F10 (0.51) F10KLKB1CFDCYP2C9CYP2C19
SCHEMBL14039676 0.83 F10 (0.62) F10KLKB1
SCHEMBL3834173 0.81 F10 (0.69) F10KLKB1
SCHEMBL5957003 0.80 F10 (0.48) F10KLKB1CFDKMT2ACYP2C9
SCHEMBL5956996 0.80 F10 (0.54) 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