SCHEMBL8393418

SCHEMBL8393418

Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCN(Cc2ccc(-c3ccccn3)s2)Cc2ccc(-c3ccccn3)s2)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 19/20 0.61
CACNA1B Q00975 1/20 0.47
CYP3A4 P08684 1/20 0.45

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
SCHEMBL8184930 0.79 GNRHR (0.77) GNRHRCYP3A4
SCHEMBL8184205 0.79 GNRHR (0.67) GNRHRCYP3A4
SCHEMBL8182738 0.77 GNRHR (0.71) GNRHRCYP3A4
SCHEMBL6981043 0.76 GNRHR (0.66) GNRHRCACNA1BCYP3A4
SCHEMBL7827210 0.74 CACNA1B (0.64) GNRHRCACNA1BCYP3A4
SCHEMBL7903275 0.74 GNRHR (1.00) GNRHR
SCHEMBL8184838 0.74 GNRHR (0.82) GNRHR
SCHEMBL8145820 0.71 GNRHR (0.92) GNRHR
SCHEMBL8393414 0.71 GNRHR (0.60) GNRHRCACNA1BCYP3A4
SCHEMBL8020455 0.71 GNRHR (0.67) GNRHRCACNA1BCYP3A4

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-6004984-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 1999-12-21 US disclosed