SCHEMBL8698131

SCHEMBL8698131

Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)O)cc3c2CC(NCCCCc2ccncc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 10/20 0.57

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
SCHEMBL8697414 0.83 GNRHR (0.52) GNRHR
SCHEMBL8698126 0.81 GNRHR (0.56) GNRHR
SCHEMBL8698127 0.81 GNRHR (0.63) GNRHR
Hydrochloric Acid SCHEMBL7850133 0.79 GNRHR (0.54) GNRHR
SCHEMBL8698221 0.77 GNRHR (0.52) GNRHR
SCHEMBL8694008 0.77 GNRHR (0.52) GNRHR
SCHEMBL8697449 0.76 CACNA1B (0.40) GNRHR
SCHEMBL6974460 0.75 GNRHR (0.79) GNRHR
SCHEMBL8600810 0.75 GNRHR (0.81) GNRHR
SCHEMBL8191104 0.74 PPARG (0.51) 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