SCHEMBL2791941

SCHEMBL2791941

CC1(C)OB(c2ccc(C[C@H](CC(=O)N3CCCC(c4cc5cccc(F)c5n4C[C@H](O)CO)C3)NC(=O)O)cc2)OC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.32
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
PPARA Q07869 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL2790553 1.00 ROCK1 (0.32) ROCK1ITGB3ITGA2BPPARAPDE2A
SCHEMBL7889785 0.91 L3MBTL1 (0.32) ROCK1ITGB3ITGA2BPPARA
SCHEMBL7900607 0.91 L3MBTL1 (0.32) ROCK1ITGB3ITGA2BPPARA
SCHEMBL7902090 0.80 USP30 (0.32) ITGB3ITGA2B
SCHEMBL2814040 0.79 CNR2 (0.34) ROCK1
SCHEMBL2814043 0.79 CNR2 (0.34) ROCK1
SCHEMBL2790483 0.79 ALDH1A1 (0.31)
SCHEMBL2790479 0.79 ALDH1A1 (0.31)
SCHEMBL2790813 0.78 PROKR1 (0.36) ITGB3ITGA2B
SCHEMBL2789916 0.77 REN (0.32)

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed