SCHEMBL8990763

SCHEMBL8990763

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.42
TACR1 P25103 1/20 0.38
AGTR1 P30556 1/20 0.37
OPRM1 P35372 5/20 0.36
OPRD1 P41143 2/20 0.36
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL8990771 0.94 GHSR (0.42) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991046 0.93 GHSR (0.38) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990946 0.92 GHSR (0.40) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991017 0.92 GHSR (0.49) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990925 0.92 GHSR (0.49) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990953 0.92 GHSR (0.51) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990832 0.91 GHSR (0.37) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991087 0.91 TACR1 (0.39) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990960 0.88 GHSR (0.47) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990840 0.87 GHSR (0.41) GHSRAGTR1

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