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Sugi Predict / Compounds / SCHEMBL8352408

SCHEMBL8352408

SCHEMBL8352408

Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CN(CCc2ccc(-n3cnnc3)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 19/20 0.51
▸ CYP3A4 P08684 2/20 0.49
▸ CACNA1B Q00975 1/20 0.47

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
SCHEMBL8352413 1.00 GNRHR (0.51) GNRHRCYP3A4CACNA1B
SCHEMBL8183591 0.84 CACNA1B (0.49) GNRHRCYP3A4CACNA1B
SCHEMBL8183588 0.84 CACNA1B (0.49) GNRHRCYP3A4CACNA1B
SCHEMBL8162520 0.83 GNRHR (0.53) GNRHRCYP3A4CACNA1B
SCHEMBL8162524 0.83 GNRHR (0.53) GNRHRCYP3A4CACNA1B
SCHEMBL7869425 0.80 CACNA1B (0.60) GNRHRCYP3A4CACNA1B
SCHEMBL7869430 0.80 CACNA1B (0.60) GNRHRCYP3A4CACNA1B
SCHEMBL14461720 0.80 GNRHR (0.46) GNRHRCYP3A4
SCHEMBL8351221 0.78 GNRHR (0.81) GNRHRCYP3A4
SCHEMBL8351223 0.78 GNRHR (0.81) 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-5985901-A TREATMENT OF A VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN MERCK & CO., INC. (US) 1999-11-16 — — US disclosed