SCHEMBL8990884

SCHEMBL8990884

CC(C)(N)C(=O)N[C@@H]1Sc2cc(F)ccc2CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.36
AGTR1 P30556 4/20 0.36
ADAM17 P78536 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
KCNA5 P22460 3/20 0.32
HTR2A P28223 1/20 0.31
GRM2 Q14416 1/20 0.31
MLNR O43193 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL8990919 0.91 GHSR (0.40) GHSRAGTR1GRM2
SCHEMBL8991104 0.86 GHSR (0.38) GHSRAGTR1ADAM17OPRM1OPRK1
SCHEMBL8990903 0.86 AGTR1 (0.34) GHSRAGTR1
SCHEMBL9694552 0.83 GHSR (0.48) GHSRAGTR1
SCHEMBL8990860 0.83 GHSR (0.48) GHSRAGTR1
SCHEMBL8990823 0.83 AGTR1 (0.42) GHSRAGTR1
SCHEMBL8990887 0.82 GHSR (0.46) GHSROPRM1OPRK1OPRL1KCNA5
SCHEMBL8990935 0.81 GHSR (0.55) GHSROPRM1OPRK1OPRL1KCNA5
SCHEMBL8990780 0.81 GHSR (0.56) GHSROPRM1OPRK1OPRL1KCNA5
SCHEMBL8990728 0.80 GHSR (0.42) GHSRAGTR1OPRM1

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