SCHEMBL7827210

SCHEMBL7827210

[CH2]Cc1c(-c2cc(C)cc(C)c2)[nH]c2ccc(C(C)(C)C(=O)N3C4CCC3CC4)cc12

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.64
GNRHR P30968 18/20 0.63
CYP3A4 P08684 2/20 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
SCHEMBL6981043 0.88 GNRHR (0.66) CACNA1BGNRHRCYP3A4
SCHEMBL8020455 0.83 GNRHR (0.67) CACNA1BGNRHRCYP3A4
SCHEMBL7545829 0.82 CACNA1B (0.73) CACNA1BGNRHRCYP3A4
SCHEMBL7545821 0.82 CACNA1B (0.73) CACNA1BGNRHRCYP3A4
SCHEMBL8184930 0.78 GNRHR (0.77) GNRHRCYP3A4
SCHEMBL8145820 0.78 GNRHR (0.92) GNRHR
SCHEMBL6985296 0.78 GNRHR (1.00) GNRHR
SCHEMBL7903275 0.78 GNRHR (1.00) GNRHR
SCHEMBL7903301 0.77 GNRHR (0.81) GNRHR
SCHEMBL7549514 0.77 CACNA1B (0.66) CACNA1BGNRHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986385-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2001-05-16 EP disclosed
EP-1011667-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2001-03-28 EP disclosed
US-6156767-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-12-05 US disclosed
US-6156772-A INDOLE HORMONE INHIBITORS MERCK & CO., INC. (US) 2000-12-05 US disclosed
EP-1011667-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (a New Jersey corp.) (US) 2000-06-28 EP 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-0986385-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO. INC. (US) 2000-03-22 EP disclosed
US-6004984-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 1999-12-21 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-1998055119-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed
WO-1998055116-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed