SCHEMBL8697376

SCHEMBL8697376

CCCCN(CCCC)C(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCCCCc3cccnc3)c2c1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 12/20 0.88

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
SCHEMBL6980604 0.88 GNRHR (0.82) GNRHR
SCHEMBL8695273 0.84 GNRHR (1.00) GNRHR
SCHEMBL6981337 0.84 GNRHR (1.00) GNRHR
Hydrochloric Acid SCHEMBL6983627 0.84 GNRHR (0.99) GNRHR
SCHEMBL8145820 0.79 GNRHR (0.92) GNRHR
SCHEMBL8694176 0.78 GNRHR (0.55) GNRHR
SCHEMBL8695101 0.77 GNRHR (0.78) GNRHR
SCHEMBL6974859 0.77 GNRHR (0.61) GNRHR
SCHEMBL6978236 0.76 GNRHR (0.60) GNRHR
SCHEMBL8693710 0.76 GNRHR (0.53) 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 1 patent. 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