SCHEMBL7542585

SCHEMBL7542585

Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2C(C)CN)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.71
CYP3A4 P08684 1/20 0.67

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
SCHEMBL7542590 1.00 GNRHR (0.71) GNRHRCYP3A4
SCHEMBL7545821 0.89 CACNA1B (0.73) GNRHRCYP3A4
SCHEMBL7545829 0.89 CACNA1B (0.73) GNRHRCYP3A4
SCHEMBL7542960 0.87 GNRHR (0.79) GNRHRCYP3A4
SCHEMBL7542963 0.87 GNRHR (0.79) GNRHRCYP3A4
SCHEMBL13692916 0.85 GNRHR (0.87) GNRHRCYP3A4
SCHEMBL8079311 0.84 GNRHR (0.75) GNRHRCYP3A4
SCHEMBL8079308 0.84 GNRHR (0.75) GNRHRCYP3A4
SCHEMBL6439664 0.84 GNRHR (1.00) GNRHR
SCHEMBL1535425 0.84 GNRHR (1.00) GNRHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027046-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-04-03 EP disclosed
US-6159989-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-12-12 US disclosed
EP-1027046-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-08-16 EP disclosed
US-6017944-A TREATING 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, SLEEP DISORDERS MERCK & CO., INC. (US) 2000-01-25 US disclosed
WO-1999021553-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-05-06 WO disclosed