SCHEMBL6975682

SCHEMBL6975682

CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(C(C)CN)c2c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.52
GNRHR P30968 15/20 0.48
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
CNR2 P34972 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL7515938 1.00 CACNA1B (0.52) CACNA1BGNRHRTLR9TLR8TLR7
SCHEMBL7512794 0.85 GNRHR (0.52) CACNA1BGNRHRCYP3A4
SCHEMBL7512785 0.85 GNRHR (0.52) CACNA1BGNRHRCYP3A4
SCHEMBL7855392 0.85 GNRHR (0.57) CACNA1BGNRHR
SCHEMBL7855390 0.85 GNRHR (0.57) CACNA1BGNRHR
SCHEMBL7544420 0.84 CACNA1B (0.49) CACNA1BGNRHR
SCHEMBL7544412 0.84 CACNA1B (0.49) CACNA1BGNRHR
SCHEMBL8562520 0.83 CACNA1B (0.45) CACNA1BGNRHRCNR2
SCHEMBL6976457 0.83 GNRHR (0.49) GNRHRCNR2
SCHEMBL7513644 0.82 CNR2 (0.47) CACNA1BGNRHRCNR2

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 25 patents — showing the first 20. 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-1049472-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1027046-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-0873336-B1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-03-27 EP disclosed
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-1062215-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
EP-1068195-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2001-01-17 EP disclosed
EP-1062215-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-12-27 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-1999041252-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-08-19 WO disclosed
WO-1999041251-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-08-19 WO disclosed
WO-1999021557-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-05-06 WO disclosed
WO-1999021553-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-05-06 WO disclosed
WO-1998055119-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed
EP-0873336-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (a New Jersey corp.) (US) 1998-10-28 EP disclosed
US-5780437-A ADMINISTERING TO TREAT SEX-HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-07-14 US disclosed
WO-1997021704-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed