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SCHEMBL8694052

SCHEMBL8694052

CON(C)C(=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 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 11/20 0.38
▸ CACNA1B Q00975 1/20 0.36

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
SCHEMBL8697442 0.91 CACNA1B (0.39) GNRHRCACNA1B
SCHEMBL8697449 0.73 CACNA1B (0.40) GNRHRCACNA1B
SCHEMBL8698126 0.73 GNRHR (0.56) GNRHR
SCHEMBL8599870 0.72 GNRHR (0.40) GNRHRCACNA1B
SCHEMBL8694015 0.72 GNRHR (0.56) GNRHR
SCHEMBL8694057 0.71 CACNA1B (0.38) GNRHRCACNA1B
SCHEMBL8694619 0.71 GNRHR (0.38) GNRHRCACNA1B
SCHEMBL3277652 0.64 GNRHR (0.65) GNRHR
SCHEMBL8166907 0.61 CACNA1B (0.72) GNRHRCACNA1B
SCHEMBL10509690 0.56 SMN1; SMN2 (0.46) —

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