SCHEMBL23927716

SCHEMBL23927716

NCC(C(=O)Nc1cc2ccncc2s1)c1ccc(COC(=O)OCCCCO[N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.61
ROCK1 Q13464 13/20 0.61

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
SCHEMBL23927622 0.92 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL23927625 0.92 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL23927561 0.90 ROCK2 (0.57) ROCK2ROCK1
SCHEMBL23927620 0.89 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL23927652 0.89 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL23927650 0.89 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL28402753 0.88 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL23927565 0.87 ROCK2 (0.54) ROCK2ROCK1
SCHEMBL23927566 0.87 ROCK2 (0.54) ROCK2ROCK1
SCHEMBL23963844 0.86 ROCK2 (0.61) 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-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP disclosed