SCHEMBL8990986

SCHEMBL8990986

CC(C)(N)CC(=O)N[C@@H]1Cc2cc(F)ccc2CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.47
GHSR Q92847 1/20 0.47
TACR1 P25103 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
ADAM17 P78536 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL8991039 0.93 AGTR1 (0.41) AGTR1GHSRTACR1OPRM1OPRK1
SCHEMBL8991104 0.92 GHSR (0.38) AGTR1GHSRTACR1OPRM1OPRK1
SCHEMBL8990854 0.92 GHSR (0.52) AGTR1GHSRTACR1OPRM1FNTA
SCHEMBL8991075 0.90 GHSR (0.46) AGTR1GHSRTACR1OPRM1OPRD1
SCHEMBL8991073 0.90 AGTR1 (0.46) AGTR1GHSRTACR1ROCK2ROCK1
SCHEMBL8990922 0.89 AGTR1 (0.37) AGTR1GHSRTACR1OPRM1OPRK1
SCHEMBL8990738 0.88 AGTR1 (0.36) AGTR1GHSRTACR1OPRM1OPRK1
SCHEMBL8990728 0.84 GHSR (0.42) AGTR1GHSRTACR1OPRM1FNTA
SCHEMBL9025367 0.83 GHSR (0.65) AGTR1GHSR
SCHEMBL9023895 0.83 GHSR (0.65) AGTR1GHSR

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 claimed