SCHEMBL8991073

SCHEMBL8991073

COc1ccc2c(c1)C[C@@H](NC(=O)CC(C)(C)N)C(=O)N(Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.46
GHSR Q92847 1/20 0.46
ROCK1 Q13464 3/20 0.35
ROCK2 O75116 1/20 0.33
NAMPT P43490 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F10 P00742 1/20 0.32
TACR1 P25103 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL8990895 0.92 GHSR (0.37) AGTR1GHSRROCK1ROCK2NAMPT
SCHEMBL8990854 0.91 GHSR (0.52) AGTR1GHSRTACR1
SCHEMBL8990986 0.90 AGTR1 (0.47) AGTR1GHSRROCK1ROCK2TACR1
SCHEMBL8991075 0.89 GHSR (0.46) AGTR1GHSRTACR1
SCHEMBL8991098 0.89 AGTR1 (0.36) AGTR1GHSRROCK1ROCK2NAMPT
SCHEMBL8991106 0.88 AGTR1 (0.36) AGTR1GHSRROCK1ROCK2NAMPT
SCHEMBL9025638 0.84 GHSR (0.63) AGTR1GHSR
SCHEMBL9024970 0.84 GHSR (0.63) AGTR1GHSRF10
SCHEMBL9024143 0.84 GHSR (0.63) AGTR1GHSRF10
SCHEMBL8991039 0.84 AGTR1 (0.41) AGTR1GHSRTACR1

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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO claimed