SCHEMBL8600810

SCHEMBL8600810

CC(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCCCCc3ccncc3)c2c1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 8/20 0.81

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
SCHEMBL6974460 0.90 GNRHR (0.79) GNRHR
SCHEMBL8600629 0.90 GNRHR (1.00) GNRHR
Hydrochloric Acid SCHEMBL8698543 0.89 GNRHR (0.98) GNRHR
SCHEMBL8698225 0.87 GNRHR (0.70) GNRHR
SCHEMBL6975952 0.86 GNRHR (0.76) GNRHR
SCHEMBL8694995 0.85 GNRHR (0.69) GNRHR
SCHEMBL8700388 0.84 GNRHR (0.70) GNRHR
SCHEMBL8569037 0.84 GNRHR (0.68) GNRHR
SCHEMBL8695273 0.81 GNRHR (1.00) GNRHR
SCHEMBL6985296 0.80 GNRHR (1.00) GNRHR

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