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Sugi Predict / Compounds / SCHEMBL8437799

SCHEMBL8437799

SCHEMBL8437799

Cc1cc(C)cc(-c2[nH]c3ncc(C(C)(C)C(=O)N(CC(C)C)CC(C)C)cc3c2C(C)CNCCc2ccc(NS(C)(=O)=O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 13/20 0.59
▸ CYP3A4 P08684 2/20 0.44

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
SCHEMBL8437794 1.00 GNRHR (0.59) GNRHRCYP3A4
SCHEMBL8088012 0.85 GNRHR (0.80) GNRHR
SCHEMBL8088014 0.85 GNRHR (0.80) GNRHR
SCHEMBL8481717 0.82 GNRHR (0.67) GNRHRCYP3A4
SCHEMBL8481722 0.82 GNRHR (0.67) GNRHRCYP3A4
SCHEMBL8521671 0.82 GNRHR (0.46) GNRHR
SCHEMBL8521676 0.82 GNRHR (0.46) GNRHR
SCHEMBL8012586 0.76 GNRHR (0.49) GNRHR
SCHEMBL7858393 0.76 GNRHR (0.49) GNRHR
SCHEMBL7701566 0.76 GNRHR (0.45) 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-5985892-A USEFUL FOR THE TREATMENT OF A VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN; PREVENTING PREGNANCY; TREATING LUPUS ERYTHEMATOSIS, IRRITABLE BOWEL SYNDROME, PREMENSTRUAL SYNDROME, HIRSUTISM, SHORT STATURE OR A MERCK & CO., LTD. (US) 1999-11-16 — — US disclosed