SCHEMBL30167264

SCHEMBL30167264

COc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccc(-c4cn[nH]c4)c(OC)n2)C3=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.51

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
SCHEMBL23529138 1.00 ROCK2 (0.51) ROCK2
SCHEMBL22396342 0.83 ROCK2 (0.60) ROCK2
SCHEMBL30356981 0.83 ROCK2 (0.60) ROCK2
SCHEMBL23529060 0.83 ROCK2 (0.52) ROCK2
SCHEMBL22396229 0.82 ROCK2 (0.57) ROCK2
SCHEMBL23529070 0.82 ROCK2 (0.51) ROCK2
SCHEMBL21490345 0.81 ROCK2 (0.53) ROCK2
SCHEMBL29442924 0.81 ROCK2 (0.53) ROCK2
SCHEMBL21490339 0.79 ROCK2 (0.58) ROCK2
SCHEMBL29442943 0.79 ROCK2 (0.58) ROCK2

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-3704121-B1 DIAZASPIRO ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-12-21 EP disclosed