SCHEMBL7516989

SCHEMBL7516989

CCN(CC)C(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(C(C)CNC(=O)O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 18/20 0.60
CACNA1B Q00975 1/20 0.51

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
SCHEMBL7516980 1.00 GNRHR (0.60) GNRHRCACNA1B
SCHEMBL7514192 0.91 GNRHR (0.56) GNRHRCACNA1B
SCHEMBL7514184 0.91 GNRHR (0.56) GNRHRCACNA1B
SCHEMBL7855392 0.89 GNRHR (0.57) GNRHRCACNA1B
SCHEMBL7855390 0.89 GNRHR (0.57) GNRHRCACNA1B
SCHEMBL7980537 0.88 GNRHR (0.69) GNRHR
SCHEMBL7980539 0.88 GNRHR (0.69) GNRHR
SCHEMBL7863999 0.81 GNRHR (0.53) GNRHRCACNA1B
SCHEMBL7863995 0.81 GNRHR (0.53) GNRHRCACNA1B
SCHEMBL7512785 0.78 GNRHR (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049472-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1049472-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-11-08 EP disclosed
WO-1999021557-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-05-06 WO disclosed