SCHEMBL2791052

SCHEMBL2791052

CC(=O)NCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)NC(=O)O)C2)cc2ccc(Cl)cc21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.34
GRIN2B Q13224 1/20 0.31
CCR4 P51679 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
SCHEMBL2789762 0.88 ITGB1 (0.31)
SCHEMBL2790813 0.81 PROKR1 (0.36) PROKR1
SCHEMBL2790320 0.79 KDM4E (0.42) PROKR1
SCHEMBL2812730 0.78 PROKR1 (0.39) PROKR1GRIN2B
SCHEMBL2790508 0.75 FPR2 (0.34)
SCHEMBL2814043 0.75 CNR2 (0.34)
SCHEMBL2814040 0.75 CNR2 (0.34)
SCHEMBL2790483 0.75 ALDH1A1 (0.31)
SCHEMBL2790479 0.75 ALDH1A1 (0.31)
SCHEMBL2791941 0.74 ROCK1 (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