SCHEMBL6983015

SCHEMBL6983015

Cc1cc(C)cc(-c2[nH]c3ccc(C#N)cc3c2CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 16/20 0.55
CYP2C9 P11712 1/20 0.47

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
SCHEMBL8665668 0.86 GNRHR (0.45) CYP2C9
SCHEMBL8191104 0.85 PPARG (0.51)
SCHEMBL6986887 0.84 GNRHR (0.51)
SCHEMBL6984508 0.83 GNRHR (0.49)
SCHEMBL8668503 0.82 MAPT (0.43) CYP2C9
SCHEMBL8185257 0.82 GNRHR (0.49)
SCHEMBL6982073 0.81 GNRHR (0.47)
SCHEMBL6983351 0.81 GNRHR (0.51)
SCHEMBL8697833 0.80 GNRHR (0.43)
SCHEMBL6982574 0.79 GNRHR (0.48)

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 5 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
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-0873336-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (a New Jersey corp.) (US) 1998-10-28 EP disclosed
WO-1997021704-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed