SCHEMBL2835610

SCHEMBL2835610

COCCCn1c(C2CCCN(C(=O)C[C@@H](C)N(C(=O)OC(C)(C)C)c3ccc(NC(=O)c4c[nH]cn4)cc3)C2)c(C)c2cccc(F)c21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
TRPV3 Q8NET8 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
SCHEMBL2835561 0.92 GFER (0.31) GFERGPR119TRPV3
SCHEMBL2841338 0.90 SIRT2 (0.32) GFERGPR119TRPV3
SCHEMBL2790130 0.86 ALOX5AP (0.34) GFERGPR119TRPV3
SCHEMBL2792001 0.86 TRPV3 (0.33) GFERGPR119TRPV3
SCHEMBL2837000 0.86 ALDH1A1 (0.36) GFERGPR119
SCHEMBL7900974 0.86 PABPC1 (0.32)
SCHEMBL2787942 0.84 DPP4 (0.33) GFER
SCHEMBL2787940 0.84 DPP4 (0.33) GFER
SCHEMBL2789073 0.79 CACNA1G (0.31) TRPV3
SCHEMBL7897783 0.78 PABPC1 (0.33)

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