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Sugi Predict / Compounds / SCHEMBL7602400

SCHEMBL7602400

SCHEMBL7602400

Cc1cc(C)cc(-c2[nH]c3c(C(=O)OC(C)(C)C)nc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CN(CCc2ccc3c(c2)nnn3COCC[Si](C)(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 20/20 0.37
▸ CYP3A4 P08684 3/20 0.37

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
SCHEMBL7543618 0.79 GNRHR (0.46) GNRHRCYP3A4
SCHEMBL7646319 0.78 GNRHR (0.43) GNRHRCYP3A4
SCHEMBL7975979 0.71 GNRHR (0.51) GNRHR
SCHEMBL7990466 0.69 GNRHR (0.48) GNRHR
SCHEMBL7645702 0.69 GNRHR (0.62) GNRHRCYP3A4
SCHEMBL14461720 0.68 GNRHR (0.46) GNRHRCYP3A4
SCHEMBL7552438 0.67 GNRHR (0.55) GNRHR
SCHEMBL8352408 0.67 GNRHR (0.51) GNRHRCYP3A4
SCHEMBL8352413 0.67 GNRHR (0.51) GNRHRCYP3A4
SCHEMBL8183591 0.64 CACNA1B (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165076-A4 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-05-15 — — EP disclosed
EP-1165076-A1 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2002-01-02 — — EP disclosed
WO-2000053181-A1 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 2000-09-14 — — WO disclosed