SCHEMBL8990803

SCHEMBL8990803

CNC(=O)Nc1cc(CN2Cc3ccccc3C[C@@H](NC(=O)CC(C)(C)N)C2=O)ccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.41
AGTR1 P30556 1/20 0.41
OPRM1 P35372 5/20 0.40
OPRD1 P41143 3/20 0.40
MME P08473 2/20 0.40
TACR1 P25103 1/20 0.39
ACE P12821 1/20 0.39
HRH4 Q9H3N8 1/20 0.37
ANPEP P15144 1/20 0.37
LNPEP Q9UIQ6 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
SCHEMBL8990897 0.91 GHSR (0.47) GHSRAGTR1OPRM1OPRD1MME
SCHEMBL8991082 0.84 GHSR (0.41) GHSRAGTR1OPRM1OPRD1TACR1
SCHEMBL8991003 0.82 GHSR (0.51) GHSRAGTR1OPRM1OPRD1MME
SCHEMBL8990729 0.82 GHSR (0.57) GHSRAGTR1OPRM1OPRD1MME
SCHEMBL8991127 0.79 MME (0.36) GHSRAGTR1OPRM1OPRD1MME
SCHEMBL8991035 0.78 MME (0.36) GHSRAGTR1OPRM1OPRD1MME
SCHEMBL8990849 0.77 GHSR (0.42) GHSRAGTR1
SCHEMBL8990818 0.77 GHSR (0.47) GHSRAGTR1OPRM1OPRD1MME
SCHEMBL8990812 0.77 GHSR (0.47) GHSRAGTR1OPRM1OPRD1MME
SCHEMBL8990960 0.77 GHSR (0.47) GHSRAGTR1OPRM1OPRD1MME

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