SCHEMBL8991025

SCHEMBL8991025

CNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccccc3C[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.48
TACR1 P25103 2/20 0.37
AGTR1 P30556 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 1/20 0.34
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
XIAP P98170 1/20 0.33

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
SCHEMBL8990774 0.94 GHSR (0.49) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991059 0.94 GHSR (0.50) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991017 0.94 GHSR (0.49) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990771 0.92 GHSR (0.42) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990755 0.92 GHSR (0.40) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990768 0.92 GHSR (0.43) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990712 0.92 GHSR (0.43) GHSRTACR1XIAP
SCHEMBL8990851 0.91 TACR1 (0.38) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991035 0.89 MME (0.36) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990925 0.88 GHSR (0.49) GHSRTACR1AGTR1OPRM1OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed