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Sugi Predict / Compounds / SCHEMBL8026783

SCHEMBL8026783

SCHEMBL8026783

Cc1cc(C)cc(-c2[nH]c3ncc(C(C)(C)C(=O)N(CC(C)C)CC(C)C)cc3c2C(C)Cc2cnc3nc[nH]c3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 20/20 0.51
▸ CYP3A4 P08684 2/20 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
SCHEMBL8026780 1.00 GNRHR (0.51) GNRHRCYP3A4
SCHEMBL8192232 0.84 GNRHR (0.70) GNRHRCYP3A4
SCHEMBL7858393 0.77 GNRHR (0.49) GNRHR
SCHEMBL8012586 0.77 GNRHR (0.49) GNRHR
SCHEMBL8088014 0.75 GNRHR (0.80) GNRHR
SCHEMBL8088012 0.75 GNRHR (0.80) GNRHR
SCHEMBL7967242 0.66 GNRHR (0.39) GNRHR
SCHEMBL7967244 0.66 GNRHR (0.39) GNRHR
SCHEMBL7977559 0.62 GNRHR (0.51) GNRHRCYP3A4
SCHEMBL7977562 0.62 GNRHR (0.51) GNRHRCYP3A4

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-6025366-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-02-15 — — US disclosed