SCHEMBL7541501

SCHEMBL7541501

Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 19/20 0.68
CACNA1B Q00975 1/20 0.68
CYP3A4 P08684 3/20 0.63

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
SCHEMBL7541511 1.00 GNRHR (0.68) GNRHRCACNA1BCYP3A4
SCHEMBL7863999 0.89 GNRHR (0.53) GNRHRCACNA1BCYP3A4
SCHEMBL7863995 0.89 GNRHR (0.53) GNRHRCACNA1BCYP3A4
SCHEMBL7545821 0.86 CACNA1B (0.73) GNRHRCACNA1BCYP3A4
SCHEMBL7545829 0.86 CACNA1B (0.73) GNRHRCACNA1BCYP3A4
SCHEMBL7512794 0.86 GNRHR (0.52) GNRHRCACNA1BCYP3A4
SCHEMBL7512785 0.86 GNRHR (0.52) GNRHRCACNA1BCYP3A4
SCHEMBL7544164 0.85 GNRHR (0.78) GNRHRCACNA1BCYP3A4
SCHEMBL7544172 0.85 GNRHR (0.78) GNRHRCACNA1BCYP3A4
SCHEMBL7514192 0.84 GNRHR (0.56) GNRHRCACNA1BCYP3A4

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 9 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
EP-1068195-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2001-01-17 EP disclosed
US-6159989-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-12-12 US disclosed
US-6159975-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
US-5985901-A TREATMENT OF A VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN MERCK & CO., INC. (US) 1999-11-16 US disclosed
WO-1999041251-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-08-19 WO disclosed
WO-1999021553-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-05-06 WO disclosed