SCHEMBL19085983

SCHEMBL19085983

CC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)N1CCc2sc(C(=O)NCCc3ccccc3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
PRMT5 O14744 13/20 0.42
WDR77 Q9BQA1 13/20 0.42
KMT2A Q03164 1/20 0.40
HCRTR2 O43614 3/20 0.40
HCRTR1 O43613 1/20 0.37

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
SCHEMBL19085984 0.93 ROCK2 (0.42) ROCK2ROCK1PRMT5WDR77KMT2A
SCHEMBL19086039 0.90 PRMT5 (0.39) ROCK2ROCK1PRMT5WDR77
SCHEMBL19086038 0.90 PRMT5 (0.39) ROCK2ROCK1PRMT5WDR77
SCHEMBL19086037 0.89 RPS6KB1 (0.42) ROCK2ROCK1PRMT5WDR77
SCHEMBL19085981 0.88 TRPV1 (0.41) ROCK2ROCK1PRMT5WDR77KMT2A
SCHEMBL19085999 0.88 TRPV1 (0.41) ROCK2ROCK1PRMT5WDR77KMT2A
SCHEMBL19085995 0.88 METTL3 (0.41) ROCK2ROCK1PRMT5WDR77KMT2A
SCHEMBL19085994 0.87 ROCK2 (0.41) ROCK2ROCK1PRMT5WDR77
SCHEMBL19085991 0.86 MAOB (0.42) ROCK2ROCK1PRMT5WDR77KMT2A
SCHEMBL19086985 0.86 PRMT5 (0.41) ROCK2ROCK1PRMT5WDR77

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
WO-2017114275-A1 COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME 成都先导药物开发有限公司 2017-07-06 WO disclosed