SCHEMBL2789073

SCHEMBL2789073

COCCCn1c(C2CCCN(CC[C@@H](C)N(C(=O)OC(C)(C)C)c3ccc(Br)cc3)C2)c(C)c2cccc(F)c21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.31
HTR7 P34969 5/20 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
SCHEMBL2792001 0.92 TRPV3 (0.33) CACNA1GTRPV3
SCHEMBL2790130 0.85 ALOX5AP (0.34) TRPV3
SCHEMBL2841338 0.80 SIRT2 (0.32) TRPV3
SCHEMBL2835561 0.80 GFER (0.31) TRPV3
SCHEMBL7900706 0.79 ALOX5AP (0.42) TRPV3
SCHEMBL2835610 0.79 GFER (0.31) TRPV3
SCHEMBL2837000 0.78 ALDH1A1 (0.36)
SCHEMBL7905913 0.77 CACNA1B (0.35)
SCHEMBL7905963 0.75 PROKR1 (0.35)
SCHEMBL2791623 0.73 FPR2 (0.34)

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