SCHEMBL8991054

SCHEMBL8991054

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.56
TACR1 P25103 2/20 0.41
OPRM1 P35372 2/20 0.38
OPRD1 P41143 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
AGTR1 P30556 1/20 0.37

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
SCHEMBL8991005 0.92 GHSR (0.55) GHSRTACR1OPRM1OPRD1MME
SCHEMBL8990816 0.92 GHSR (0.68) GHSRTACR1OPRM1OPRD1MME
SCHEMBL8991128 0.91 GHSR (0.68) GHSRTACR1OPRM1OPRD1MME
SCHEMBL8990960 0.91 GHSR (0.47) GHSRTACR1OPRM1OPRD1MME
SCHEMBL8990879 0.90 GHSR (0.52) GHSRTACR1OPRM1OPRD1MME
SCHEMBL8990939 0.90 GHSR (0.68) GHSRTACR1OPRM1OPRD1MME
SCHEMBL8991051 0.90 GHSR (0.49) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990979 0.85 GHSR (0.51) GHSRAGTR1
SCHEMBL8990763 0.84 GHSR (0.42) GHSRTACR1OPRM1OPRD1MME
SCHEMBL8991034 0.84 GHSR (0.60) GHSRTACR1OPRM1FNTAFNTB

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