SCHEMBL8991015

SCHEMBL8991015

CSc1ccc2c(c1)C[C@@H](NC(=O)CC(C)(C)NC[C@@H](C)O)C(=O)N(Cc1ccc(-c3ccccc3CNC(=O)NCCO)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.45
TACR1 P25103 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
AGTR1 P30556 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30

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
SCHEMBL8990713 0.95 GHSR (0.44) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990906 0.94 GHSR (0.44) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990934 0.94 GHSR (0.43) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990832 0.93 GHSR (0.37) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990953 0.92 GHSR (0.51) GHSRTACR1DRD2DRD4DRD3
SCHEMBL8990921 0.91 GHSR (0.46) GHSRTACR1DRD2DRD4DRD3
SCHEMBL8990741 0.90 GHSR (0.45) GHSRTACR1DRD2DRD4DRD3
SCHEMBL8990944 0.90 GHSR (0.51) GHSRTACR1DRD2DRD4DRD3
SCHEMBL8990806 0.90 GHSR (0.43) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990735 0.88 GHSR (0.44) GHSR

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