Sugi Predict

Sugi Predict / Compounds / SCHEMBL8523626

SCHEMBL8523626

SCHEMBL8523626

Cc1cc(C)cc(-c2c([C@H](C)CNCCc3ccc(NS(C)(=O)=O)cc3)c3cc(C(C)(C)C(=O)N4CC5CCC4CC5)cnc3n2C(=O)OC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 20/20 0.54
▸ CYP3A4 P08684 4/20 0.52

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
SCHEMBL8523631 1.00 GNRHR (0.54) GNRHRCYP3A4
SCHEMBL8521671 0.84 GNRHR (0.46) GNRHR
SCHEMBL8481722 0.84 GNRHR (0.67) GNRHRCYP3A4
SCHEMBL8521676 0.84 GNRHR (0.46) GNRHR
SCHEMBL8481717 0.84 GNRHR (0.67) GNRHRCYP3A4
SCHEMBL8477523 0.83 CACNA1B (0.50) GNRHRCYP3A4
SCHEMBL8479454 0.83 GNRHR (0.44) GNRHRCYP3A4
SCHEMBL8477520 0.83 CACNA1B (0.50) GNRHRCYP3A4
SCHEMBL8479459 0.83 GNRHR (0.44) GNRHRCYP3A4
SCHEMBL8479408 0.80 GNRHR (0.44) 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-5998432-A SEXUAL DISORDERS MERCK & CO., INC. (US) 1999-12-07 — — US disclosed