SCHEMBL8599870

SCHEMBL8599870

CC(=O)c1ccc2c(c1)c(CCN(CCCCc1ccncc1)C(=O)OC(C)(C)C)c(-c1cc(C)cc(C)c1)n2C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 11/20 0.40
CACNA1B Q00975 1/20 0.37

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
SCHEMBL8694619 0.89 GNRHR (0.38) GNRHRCACNA1B
SCHEMBL8697449 0.81 CACNA1B (0.40) GNRHRCACNA1B
SCHEMBL8697442 0.79 CACNA1B (0.39) GNRHRCACNA1B
SCHEMBL8694057 0.72 CACNA1B (0.38) GNRHRCACNA1B
SCHEMBL8694052 0.72 GNRHR (0.38) GNRHRCACNA1B
SCHEMBL8166907 0.64 CACNA1B (0.72) GNRHRCACNA1B
SCHEMBL9348378 0.62 NAMPT (0.44)
Hydrochloric Acid SCHEMBL6979576 0.62 GNRHR (0.60) GNRHR
SCHEMBL3277652 0.62 GNRHR (0.65) GNRHR
SCHEMBL20699701 0.61 GABRG2 (0.39) CACNA1B

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
US-5849764-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 1998-12-15 US disclosed
EP-0871624-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1998-10-21 EP disclosed
WO-1997021703-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed