SCHEMBL6981043

SCHEMBL6981043

Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCN)c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 17/20 0.66
CACNA1B Q00975 1/20 0.62
CYP3A4 P08684 1/20 0.52

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
SCHEMBL7827210 0.88 CACNA1B (0.64) GNRHRCACNA1BCYP3A4
SCHEMBL14006550 0.86 GNRHR (0.65) GNRHRCACNA1B
SCHEMBL8020455 0.85 GNRHR (0.67) GNRHRCACNA1BCYP3A4
SCHEMBL7545829 0.84 CACNA1B (0.73) GNRHRCACNA1BCYP3A4
SCHEMBL7545821 0.84 CACNA1B (0.73) GNRHRCACNA1BCYP3A4
SCHEMBL6976457 0.81 GNRHR (0.49) GNRHR
SCHEMBL8569672 0.80 GNRHR (0.66) GNRHR
SCHEMBL6985296 0.80 GNRHR (1.00) GNRHR
SCHEMBL8184930 0.80 GNRHR (0.77) GNRHRCYP3A4
SCHEMBL8145820 0.80 GNRHR (0.92) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095038-B1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2003-09-03 EP disclosed
EP-0873336-B1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-03-27 EP disclosed
EP-1095038-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2001-05-02 EP disclosed
EP-0986557-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2001-03-14 EP disclosed
US-6200957-B1 USEFUL FOR TREATMENT OF VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN MERCK & CO., INC. 2001-03-13 US disclosed
US-6156772-A INDOLE HORMONE INHIBITORS MERCK & CO., INC. (US) 2000-12-05 US disclosed
US-6156767-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-12-05 US disclosed
US-6077858-A ADMINISTERING A SUBSTITUTED INDOLE COMPOUND TO THE PATIENTS FOR THE TREATMENT OF A VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN MERCK & CO., INC. (US) 2000-06-20 US disclosed
EP-0994708-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-04-26 EP disclosed
EP-0986557-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-03-22 EP disclosed
EP-0986550-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-03-22 EP disclosed
WO-2000004013-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 2000-01-27 WO disclosed
US-6004984-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 1999-12-21 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
US-5981550-A USEFUL IN TREATING A VARIETY OF SEX-HORMONE RELATED CONDITIONS IN BOTH MEN AND WOMEN, INCLUDING ENDOMETRIOSIS, UTERINE FIBROIDS, POLYCYSTIC OVARIAN DISEASE, HIRSUTISM, PRECOCIOUS PUBERTY, GONADAL STEROID-DEPENDENT NEOPLASIAS MERCK & CO., INC. (US) 1999-11-09 US disclosed
WO-1998055479-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed
WO-1998055470-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed
WO-1998055123-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed