SCHEMBL8991003

SCHEMBL8991003

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccccc3C[C@@H](NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.51
HDAC1 Q13547 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
TACR1 P25103 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
OPRM1 P35372 4/20 0.37
OPRD1 P41143 3/20 0.37
AGTR1 P30556 1/20 0.37

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
SCHEMBL8990913 0.91 GHSR (0.45) GHSRHDAC1TACR1OPRM1AGTR1
SCHEMBL8990897 0.91 GHSR (0.47) GHSRHDAC1MMEACETACR1
SCHEMBL8990828 0.90 GHSR (0.44) GHSRHDAC1MMEACETACR1
SCHEMBL8990865 0.90 GHSR (0.44) GHSRHDAC1
SCHEMBL8990816 0.87 GHSR (0.68) GHSRMMEACETACR1HRH4
SCHEMBL8990930 0.85 GHSR (0.48) GHSRMMEACETACR1HRH4
SCHEMBL8990879 0.85 GHSR (0.52) GHSRHDAC1MMEACETACR1
SCHEMBL8990820 0.85 HDAC1 (0.43) GHSRHDAC1OPRM1OPRD1AGTR1
SCHEMBL8990811 0.85 HDAC1 (0.43) GHSRHDAC1OPRM1OPRD1AGTR1
SCHEMBL8990800 0.84 HRH4 (0.43) MMEACEHRH4OPRM1OPRD1

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