SCHEMBL5956917

SCHEMBL5956917

C#Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N3CCOCC3=O)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.51
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MTOR P42345 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL76101 0.90 F10 (0.64) F10
SCHEMBL76102 0.90 F10 (0.64) F10
SCHEMBL5956859 0.89 F10 (0.57) F10TSHRALDH1A1KMT2AMEN1
SCHEMBL5956961 0.88 F10 (0.64) F10MTOR
SCHEMBL5956904 0.85 F10 (0.56) F10MTOR
SCHEMBL5956932 0.84 F10 (0.58) F10MTOR
SCHEMBL5956894 0.84 F10 (0.58) F10MTOR
SCHEMBL5956910 0.83 F10 (0.67) F10MTOR
SCHEMBL5956864 0.83 MEN1 (0.52) F10TSHRALDH1A1KMT2AMEN1
SCHEMBL5956912 0.82 F10 (0.54) F10MTOR

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