SCHEMBL5956859

SCHEMBL5956859

C#Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N3CCOCC3=O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.57
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL5956917 0.89 F10 (0.51) F10MEN1KMT2AALDH1A1TSHR
SCHEMBL5956864 0.88 MEN1 (0.52) F10CYP2C9CYP2C19MEN1KMT2A
SCHEMBL76107 0.88 F10 (0.73) F10
SCHEMBL76617 0.88 F10 (0.73) F10
SCHEMBL76591 0.88 F10 (0.73) F10
SCHEMBL76592 0.88 F10 (0.73) F10
SCHEMBL76106 0.88 F10 (0.73) F10
SCHEMBL5956981 0.85 F10 (0.79) F10
SCHEMBL5605023 0.84 F10 (0.57) F10CYP2C9CYP2C19ALDH1A1
SCHEMBL5956946 0.83 F10 (0.67) F10POLB

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