SCHEMBL7912347

SCHEMBL7912347

Cc1cc(C)cc(-c2[nH]c3ccc(-n4nnnc4C)cc3c2CCN(CCCCc2ccc(N)c(S(C)(=O)=O)c2S(C)(=O)=O)C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 6/20 0.38

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
SCHEMBL7908724 0.88 GNRHR (0.40) GNRHR
SCHEMBL7908572 0.84 GNRHR (0.49) GNRHR
SCHEMBL7899406 0.84 GNRHR (0.38) GNRHR
SCHEMBL7899450 0.83 GNRHR (0.39) GNRHR
SCHEMBL7908383 0.83 GNRHR (0.37) GNRHR
SCHEMBL7907024 0.78 GNRHR (0.35) GNRHR
SCHEMBL7907209 0.72 GNRHR (0.54) GNRHR
SCHEMBL7912418 0.70 CXCR2 (0.34) GNRHR
SCHEMBL7908570 0.70 GNRHR (0.46) GNRHR
SCHEMBL8698127 0.69 GNRHR (0.63) GNRHR

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-6197975-B1 7-AZABICYCLO(2.2.1)HEPTANE-7-CARBONYL-SUBSTITUTED 2-PHENYLINDOLE DERIVATIVES; SEXUAL DISORDERS; ANTICARCINOGENIC AGENTS MERCK & CO. , INC. 2001-03-06 US disclosed