SCHEMBL8991104

SCHEMBL8991104

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.38
AGTR1 P30556 4/20 0.38
OPRM1 P35372 2/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
TACR1 P25103 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
ADAM17 P78536 1/20 0.33
OPRD1 P41143 1/20 0.33
MLNR O43193 1/20 0.33
THRB P10828 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
SCHEMBL8990986 0.92 AGTR1 (0.47) GHSRAGTR1OPRM1OPRK1OPRL1
SCHEMBL8990728 0.92 GHSR (0.42) GHSRAGTR1OPRM1FNTAFNTB
SCHEMBL8991149 0.90 GHSR (0.37) GHSRAGTR1OPRM1TACR1OPRD1
SCHEMBL8990895 0.90 GHSR (0.37) GHSRAGTR1ROCK2ROCK1
SCHEMBL8990884 0.86 GHSR (0.36) GHSRAGTR1OPRM1OPRK1OPRL1
SCHEMBL8991039 0.85 AGTR1 (0.41) GHSRAGTR1OPRM1OPRK1OPRL1
SCHEMBL8990922 0.85 AGTR1 (0.37) GHSRAGTR1OPRM1OPRK1OPRL1
SCHEMBL8990738 0.85 AGTR1 (0.36) GHSRAGTR1OPRM1OPRK1OPRL1
SCHEMBL8990912 0.84 HDAC1 (0.34) GHSRAGTR1OPRM1TACR1OPRD1
SCHEMBL8990854 0.83 GHSR (0.52) GHSRAGTR1OPRM1FNTAFNTB

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