SCHEMBL8990984

SCHEMBL8990984

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1Cc2ccccc2CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.41
GHSR Q92847 1/20 0.41
TACR1 P25103 2/20 0.34
MME P08473 2/20 0.34
ACE P12821 1/20 0.34
OPRM1 P35372 4/20 0.33
OPRD1 P41143 2/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL8990977 0.94 AGTR1 (0.40) AGTR1GHSRTACR1MMEACE
SCHEMBL8990922 0.93 AGTR1 (0.37) AGTR1GHSRTACR1OPRM1OPRD1
SCHEMBL8990756 0.92 AGTR1 (0.36) AGTR1GHSRTACR1
SCHEMBL8991098 0.92 AGTR1 (0.36) AGTR1GHSR
SCHEMBL8990854 0.88 GHSR (0.52) AGTR1GHSRTACR1MMEACE
SCHEMBL8990738 0.87 AGTR1 (0.36) AGTR1GHSRTACR1OPRM1
SCHEMBL8991087 0.86 TACR1 (0.39) AGTR1GHSRTACR1MMEACE
SCHEMBL8991106 0.86 AGTR1 (0.36) AGTR1GHSR
SCHEMBL8991115 0.86 AGTR1 (0.36) AGTR1GHSR
L-692585 SCHEMBL9025213 0.84 GHSR (0.60) AGTR1GHSR

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 claimed