SCHEMBL7863995

SCHEMBL7863995

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

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 19/20 0.53
CACNA1B Q00975 1/20 0.51
CYP3A4 P08684 3/20 0.49

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
SCHEMBL7863999 1.00 GNRHR (0.53) GNRHRCACNA1BCYP3A4
SCHEMBL7512794 0.91 GNRHR (0.52) GNRHRCACNA1BCYP3A4
SCHEMBL7512785 0.91 GNRHR (0.52) GNRHRCACNA1BCYP3A4
SCHEMBL7514184 0.90 GNRHR (0.56) GNRHRCACNA1BCYP3A4
SCHEMBL7514192 0.90 GNRHR (0.56) GNRHRCACNA1BCYP3A4
SCHEMBL7541511 0.89 GNRHR (0.68) GNRHRCACNA1BCYP3A4
SCHEMBL7541501 0.89 GNRHR (0.68) GNRHRCACNA1BCYP3A4
SCHEMBL6986887 0.81 GNRHR (0.51) GNRHR
SCHEMBL7516989 0.81 GNRHR (0.60) GNRHRCACNA1B
SCHEMBL7516980 0.81 GNRHR (0.60) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211224-B1 AMINOALKYLINDOLE COMPOUNDS MERCK & CO., INC. 2001-04-03 US disclosed
EP-1011667-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2001-03-28 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-1011667-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (a New Jersey corp.) (US) 2000-06-28 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-1998055119-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed