SCHEMBL8991037

SCHEMBL8991037

CCNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccc(F)cc3C[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.44
TACR1 P25103 2/20 0.34
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33
DRD3 P35462 3/20 0.33
FNTA P49354 3/20 0.33
FNTB P49356 3/20 0.33
OPRM1 P35372 3/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
AGTR1 P30556 1/20 0.31
KCNA5 P22460 1/20 0.31
KCNH2 Q12809 1/20 0.31
OPRD1 P41143 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
SCHEMBL8990862 0.95 GHSR (0.45) GHSRTACR1DRD2DRD4DRD3
SCHEMBL8991008 0.94 GHSR (0.44) GHSRTACR1DRD2DRD4DRD3
SCHEMBL8990774 0.93 GHSR (0.49) GHSRTACR1FNTAFNTBOPRM1
SCHEMBL8991030 0.92 GHSR (0.38) GHSRTACR1FNTAFNTBOPRM1
SCHEMBL8990932 0.91 GHSR (0.43) GHSRTACR1DRD2DRD4DRD3
SCHEMBL8990806 0.91 GHSR (0.43) GHSRTACR1OPRM1AGTR1OPRD1
SCHEMBL8990921 0.89 GHSR (0.46) GHSRTACR1DRD2DRD4DRD3
SCHEMBL8991016 0.89 GHSR (0.44) GHSRTACR1DRD2DRD4DRD3
SCHEMBL8991024 0.88 GHSR (0.51) GHSRTACR1DRD2DRD4DRD3
SCHEMBL8991059 0.88 GHSR (0.50) GHSRTACR1DRD2DRD4DRD3

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