SCHEMBL7990466

SCHEMBL7990466

Cc1cc(C)cc(-c2[nH]c3c(C(=O)OC(C)(C)C)nc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)COCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.48

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
SCHEMBL7975979 0.88 GNRHR (0.51) GNRHR
SCHEMBL7645090 0.85 GNRHR (0.55) GNRHR
SCHEMBL7645079 0.85 GNRHR (0.55) GNRHR
SCHEMBL7645702 0.82 GNRHR (0.62) GNRHR
SCHEMBL7552438 0.81 GNRHR (0.55) GNRHR
SCHEMBL8479688 0.81 GNRHR (0.57) GNRHR
SCHEMBL8479692 0.81 GNRHR (0.57) GNRHR
SCHEMBL7649755 0.80 GNRHR (0.49) GNRHR
SCHEMBL7543618 0.79 GNRHR (0.46) GNRHR
SCHEMBL7990467 0.78 CACNA1B (0.41) 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-6180642-B1 SEXUAL DISORDERS; CONTRACEPTIVES MERCK & CO., INC. 2001-01-30 US disclosed