SCHEMBL8990945

SCHEMBL8990945

CC(C)(N)C(=O)N[C@@H]1Cc2ccccc2CN(Cc2ccc(-c3ccccc3)c(CNC(=O)NCCO)c2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.58
TACR1 P25103 2/20 0.40
OPRM1 P35372 3/20 0.38
OPRD1 P41143 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
MME P08473 2/20 0.36
ACE P12821 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL8990939 0.92 GHSR (0.68) GHSRTACR1OPRM1OPRD1MME
SCHEMBL8990958 0.85 GHSR (0.61) GHSRTACR1OPRM1DRD2DRD4
SCHEMBL8991128 0.84 GHSR (0.68) GHSRTACR1OPRM1OPRD1MME
SCHEMBL8990827 0.84 GHSR (0.59) GHSRTACR1DRD2DRD4DRD3
SCHEMBL9107587 0.84 GHSR (0.59) GHSRTACR1OPRM1OPRD1DRD2
SCHEMBL8990816 0.83 GHSR (0.68) GHSRTACR1OPRM1OPRD1MME
SCHEMBL8990743 0.83 GHSR (0.58) GHSRTACR1OPRM1OPRD1MME
SCHEMBL8991054 0.82 GHSR (0.56) GHSRTACR1OPRM1OPRD1MME
SCHEMBL8990879 0.80 GHSR (0.52) GHSRTACR1OPRM1OPRD1HDAC1
SCHEMBL8991005 0.80 GHSR (0.55) GHSRTACR1OPRM1OPRD1MME

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed