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SCHEMBL8689573

SCHEMBL8689573

CCNC(=O)Oc1ccc2[nH]c(-c3cc(C)cc(C)c3)c(C(C)(N)CC(CCc3ccc(OCc4ccccc4)cc3)C(=O)OCc3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8690186 0.95 TRPM8 (0.40) TRPM8GABRA1GABRG2GABRB3GABRA5
SCHEMBL8689568 0.85 GABRA1 (0.39) TRPM8GABRA1GABRG2GABRB3GABRA5
SCHEMBL8689571 0.84 — —
SCHEMBL8690178 0.80 TRPM8 (0.40) TRPM8GABRA1GABRG2GABRB3GABRA5
SCHEMBL8690182 0.79 — —
SCHEMBL8689576 0.77 — —
SCHEMBL8690194 0.72 — —
SCHEMBL8698450 0.67 GNRHR (0.45) —
SCHEMBL8698486 0.67 GNRHR (0.44) —
SCHEMBL7908455 0.63 GNRHR (0.54) —

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
US-5756507-A TREATING SEX HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-05-26 — — US disclosed