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SCHEMBL8697442

SCHEMBL8697442

CC(=O)c1ccc2c(c1)c(CCNCC(CCc1ccncc1)C(=O)OC(C)(C)C)c(-c1cc(C)cc(C)c1)n2C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.39
▸ GNRHR P30968 11/20 0.38

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
SCHEMBL8694052 0.91 GNRHR (0.38) CACNA1BGNRHR
SCHEMBL8697449 0.82 CACNA1B (0.40) CACNA1BGNRHR
SCHEMBL8599870 0.79 GNRHR (0.40) CACNA1BGNRHR
SCHEMBL8698126 0.76 GNRHR (0.56) GNRHR
SCHEMBL8694015 0.75 GNRHR (0.56) GNRHR
SCHEMBL8694057 0.73 CACNA1B (0.38) CACNA1BGNRHR
SCHEMBL8694619 0.71 GNRHR (0.38) CACNA1BGNRHR
SCHEMBL8166907 0.63 CACNA1B (0.72) CACNA1BGNRHR
SCHEMBL8600810 0.61 GNRHR (0.81) GNRHR
SCHEMBL8697411 0.61 GNRHR (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