SCHEMBL8990887

SCHEMBL8990887

CC(C)(N)C(=O)N[C@@H]1Sc2cc(F)ccc2CN(Cc2ccc(-c3ccccc3CNC(N)=O)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.46
KCNA5 P22460 7/20 0.37
KCNH2 Q12809 1/20 0.37
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
MLNR O43193 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
HTR2A P28223 1/20 0.32
GRM2 Q14416 1/20 0.32
MC1R Q01726 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
SCHEMBL8990935 0.93 GHSR (0.55) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8990780 0.92 GHSR (0.56) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8991013 0.91 GHSR (0.56) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8990979 0.91 GHSR (0.51) GHSRKCNA5KCNH2LIPGMEN1
SCHEMBL8990924 0.90 GHSR (0.45) GHSRKCNA5KCNH2MLNRMEN1
SCHEMBL8990853 0.86 GHSR (0.37) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8990767 0.85 GHSR (0.48) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8990886 0.83 GHSR (0.50) GHSRKCNA5LIPGMEN1KMT2A
SCHEMBL8990951 0.83 GHSR (0.61) GHSRLIPGMEN1KMT2AGRM2
SCHEMBL8990807 0.83 GHSR (0.54) GHSRKMT2A

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