SCHEMBL7908595

SCHEMBL7908595

CCCC(c1ccc(OCc2ccccc2)cc1)N(CCc1c(-c2cc(C)cc(C)c2)[nH]c2ccc(O)cc12)C(=O)OCc1ccccc1.Cc1cc(C)cc(-c2[nH]c3ccc(O)cc3c2CCN(CCCCc2ccc(OCc3ccccc3)cc2)C(=O)OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.40

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
SCHEMBL7912498 0.90 GNRHR (0.48) GNRHR
SCHEMBL7905685 0.77 KDM4E (0.48)
SCHEMBL7912503 0.74 GNRHR (0.72) GNRHR
SCHEMBL7904324 0.74 GNRHR (0.51) GNRHR
SCHEMBL6982311 0.74 GNRHR (0.61) GNRHR
Hydrochloric Acid SCHEMBL6979576 0.73 GNRHR (0.60) GNRHR
SCHEMBL7908455 0.73 GNRHR (0.54) GNRHR
SCHEMBL8692405 0.72 GNRHR (0.55) GNRHR
SCHEMBL7899439 0.72 GNRHR (0.55) GNRHR
SCHEMBL7908754 0.72 GNRHR (0.53) 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