Sugi Predict

Sugi Predict / Compounds / SCHEMBL8521671

SCHEMBL8521671

SCHEMBL8521671

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

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 10/20 0.46
▸ CACNA1B Q00975 1/20 0.39

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
SCHEMBL8521676 1.00 GNRHR (0.46) GNRHRCACNA1B
SCHEMBL8079137 0.87 GNRHR (0.61) GNRHR
SCHEMBL8523626 0.84 GNRHR (0.54) GNRHR
SCHEMBL8523631 0.84 GNRHR (0.54) GNRHR
SCHEMBL8437799 0.82 GNRHR (0.59) GNRHR
SCHEMBL8437794 0.82 GNRHR (0.59) GNRHR
SCHEMBL8023220 0.82 CACNA1B (0.54) GNRHRCACNA1B
SCHEMBL8012567 0.82 CACNA1B (0.46) GNRHRCACNA1B
SCHEMBL8012565 0.82 CACNA1B (0.46) GNRHRCACNA1B
SCHEMBL8026722 0.81 GNRHR (0.39) GNRHRCACNA1B

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