SCHEMBL5956925

SCHEMBL5956925

C#Cc1ccc(NC(=O)N2C[C@H](OCC(O)CO)C[C@@H]2C(=O)Nc2ccc(N3CCOCC3=O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.64
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL77018 0.90 F10 (0.79) F10MAPT
SCHEMBL5956931 0.89 F10 (0.81) F10MAPTPOLB
SCHEMBL5956909 0.89 F10 (0.81) F10MAPTPOLB
SCHEMBL5956955 0.89 F10 (0.69) F10MAPTPOLBTDP1
SCHEMBL5956901 0.88 F10 (0.68) F10MAPTPOLBTDP1
SCHEMBL5956918 0.87 F10 (0.68) F10MAPTPOLB
SCHEMBL5956921 0.87 F10 (0.68) F10MAPTPOLB
SCHEMBL5956934 0.87 F10 (0.66) F10MAPTPOLBTDP1
SCHEMBL5956946 0.86 F10 (0.67) F10MAPTPOLB
SCHEMBL5956922 0.84 F10 (0.65) F10MAPTALDH1A1GLA

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