SCHEMBL8990922

SCHEMBL8990922

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1Cc2cc(F)ccc2CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.37
GHSR Q92847 1/20 0.37
FNTA P49354 3/20 0.32
FNTB P49356 3/20 0.32
TACR1 P25103 2/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
OPRM1 P35372 4/20 0.31
OPRK1 P41145 2/20 0.31
OPRL1 P41146 2/20 0.31
OPRD1 P41143 1/20 0.30

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
SCHEMBL8990738 0.94 AGTR1 (0.36) AGTR1GHSRFNTAFNTBTACR1
SCHEMBL8990984 0.93 AGTR1 (0.41) AGTR1GHSRTACR1OPRM1OPRD1
SCHEMBL8990756 0.91 AGTR1 (0.36) AGTR1GHSRTACR1
SCHEMBL8991098 0.91 AGTR1 (0.36) AGTR1GHSRROCK2ROCK1
SCHEMBL8990986 0.89 AGTR1 (0.47) AGTR1GHSRFNTAFNTBTACR1
SCHEMBL8990977 0.87 AGTR1 (0.40) AGTR1GHSRFNTAFNTBTACR1
SCHEMBL8991106 0.85 AGTR1 (0.36) AGTR1GHSRROCK2ROCK1
SCHEMBL8991115 0.85 AGTR1 (0.36) AGTR1GHSR
SCHEMBL8991104 0.85 GHSR (0.38) AGTR1GHSRFNTAFNTBTACR1
SCHEMBL9025319 0.85 GHSR (0.52) 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 3 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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed