SCHEMBL5956981

SCHEMBL5956981

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

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.79
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL5956961 0.90 F10 (0.64) F10
SCHEMBL76849 0.88 F10 (1.00) F10MAPT
SCHEMBL76023 0.88 F10 (1.00) F10MAPT
SCHEMBL77859 0.88 F10 (1.00) F10MAPT
SCHEMBL12795625 0.88 F10 (0.83) F10MAPT
SCHEMBL85846 0.88 F10 (0.83) F10MAPT
SCHEMBL76143 0.88 F10 (1.00) F10MAPT
SCHEMBL76892 0.88 F10 (1.00) F10MAPT
SCHEMBL92851 0.88 F10 (0.83) F10MAPT
SCHEMBL5956946 0.88 F10 (0.67) F10MAPT

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