SCHEMBL8991098

SCHEMBL8991098

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.36
GHSR Q92847 1/20 0.36
ROCK1 Q13464 2/20 0.34
MAPK1 P28482 3/20 0.32
XIAP P98170 1/20 0.32
ROCK2 O75116 1/20 0.31
NAMPT P43490 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SDCBP O00560 1/20 0.30
SDC2 P34741 1/20 0.30
AGTR2 P50052 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
SCHEMBL8991106 0.94 AGTR1 (0.36) AGTR1GHSRROCK1MAPK1XIAP
SCHEMBL8990984 0.92 AGTR1 (0.41) AGTR1GHSR
SCHEMBL8990922 0.91 AGTR1 (0.37) AGTR1GHSRROCK1ROCK2
SCHEMBL8990756 0.90 AGTR1 (0.36) AGTR1GHSR
SCHEMBL8991073 0.89 AGTR1 (0.46) AGTR1GHSRROCK1ROCK2NAMPT
SCHEMBL8990871 0.88 MTNR1A (0.34) AGTR1GHSRROCK1MAPK1XIAP
SCHEMBL8990760 0.88 AGTR1 (0.34) AGTR1GHSRROCK1MAPK1XIAP
SCHEMBL8990977 0.86 AGTR1 (0.40) AGTR1GHSR
SCHEMBL8990738 0.85 AGTR1 (0.36) AGTR1GHSRROCK1ROCK2
SCHEMBL8990895 0.85 GHSR (0.37) AGTR1GHSRROCK1XIAPROCK2

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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed