SCHEMBL23453149

SCHEMBL23453149

C=C(Oc1cccc(C(CN)C(=O)Nc2ccc3c(C)nccc3c2)c1)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.54
▸ ROCK1 Q13464 1/20 0.46

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
SCHEMBL2778004 0.76 ROCK2 (0.81) ROCK2ROCK1
SCHEMBL19886640 0.71 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL1105008 0.71 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL16457017 0.71 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL19886641 0.70 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL2776144 0.69 ROCK2 (0.83) ROCK2ROCK1
SCHEMBL19886627 0.68 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL16819088 0.67 ROCK2 (0.79) ROCK2ROCK1
SCHEMBL2777096 0.66 ROCK2 (0.78) ROCK2
SCHEMBL114756 0.66 ROCK2 (1.00) ROCK2ROCK1

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
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 — — EP disclosed
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