SCHEMBL8991059

SCHEMBL8991059

CC(C)(CC(=O)N[C@@H]1Cc2ccccc2CN(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O)NC[C@H](O)CO

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.50
TACR1 P25103 2/20 0.37
AGTR1 P30556 1/20 0.35
OPRM1 P35372 3/20 0.34
OPRD1 P41143 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
PTGER1 P34995 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
SCHEMBL8990774 0.94 GHSR (0.49) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991025 0.94 GHSR (0.48) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990953 0.94 GHSR (0.51) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990862 0.93 GHSR (0.45) GHSRTACR1AGTR1OPRM1DRD2
SCHEMBL8990906 0.92 GHSR (0.44) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990834 0.92 GHSR (0.44) GHSRTACR1DRD2DRD4DRD3
SCHEMBL8990771 0.92 GHSR (0.42) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990755 0.91 GHSR (0.40) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990851 0.90 TACR1 (0.38) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990925 0.88 GHSR (0.49) GHSRTACR1AGTR1OPRM1OPRD1

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