SCHEMBL8990895

SCHEMBL8990895

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.37
AGTR1 P30556 2/20 0.37
ROCK1 Q13464 3/20 0.37
ROCK2 O75116 1/20 0.34
NAMPT P43490 1/20 0.34
PYGL P06737 1/20 0.34
PYGM P11217 1/20 0.34
SCN9A Q15858 1/20 0.33
XIAP P98170 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SRC P12931 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
SCHEMBL8991073 0.92 AGTR1 (0.46) GHSRAGTR1ROCK1ROCK2NAMPT
SCHEMBL8990728 0.90 GHSR (0.42) GHSRAGTR1
SCHEMBL8991104 0.90 GHSR (0.38) GHSRAGTR1ROCK1ROCK2
SCHEMBL8991149 0.89 GHSR (0.37) GHSRAGTR1
SCHEMBL8991098 0.85 AGTR1 (0.36) GHSRAGTR1ROCK1ROCK2NAMPT
SCHEMBL8991106 0.85 AGTR1 (0.36) GHSRAGTR1ROCK1ROCK2NAMPT
SCHEMBL8990865 0.83 GHSR (0.44) GHSRROCK2NAMPTSCN9AXIAP
SCHEMBL8990912 0.82 HDAC1 (0.34) GHSRAGTR1
SCHEMBL8990986 0.82 AGTR1 (0.47) GHSRAGTR1ROCK1ROCK2
SCHEMBL8990854 0.82 GHSR (0.52) 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