SCHEMBL3275546

SCHEMBL3275546

CC(C)[CH]c1nccc(CN2CCN(c3cccc4nc(-c5ccc(C(C)(C)C)cc5)[nH]c34)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.54
TACR2 P21452 1/20 0.48
HRH2 P25021 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
HDAC6 Q9UBN7 1/20 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
SCHEMBL3274306 0.87 GNRHR (0.53) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3275300 0.86 GNRHR (0.57) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3281397 0.86 GNRHR (0.57) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3274310 0.86 GNRHR (0.57) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3275323 0.85 GNRHR (0.53) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3275967 0.85 GNRHR (0.55) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3275087 0.85 GNRHR (0.55) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3281402 0.85 GNRHR (0.55) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3274820 0.85 GNRHR (0.55) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3274998 0.85 GNRHR (0.55) GNRHRTACR2HRH2OPRM1OPRD1

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-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US claimed