SCHEMBL28489999

SCHEMBL28489999

O=C1CN(c2ccc(-c3cn[nH]c3)cc2)C(=O)N1Cc1c(F)cccc1F

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.60

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
SCHEMBL22227672 0.84 ROCK2 (0.61) ROCK2
SCHEMBL22227678 0.83 ROCK2 (0.65) ROCK2
SCHEMBL22227674 0.83 ROCK2 (0.58) ROCK2
SCHEMBL28489708 0.82 ROCK2 (0.63) ROCK2
SCHEMBL22227679 0.79 ROCK2 (0.60) ROCK2
SCHEMBL28902528 0.78 ROCK2 (0.64) ROCK2
SCHEMBL22227654 0.77 ROCK2 (0.64) ROCK2
SCHEMBL22227686 0.76 ROCK2 (0.55) ROCK2
SCHEMBL21406840 0.75 ROCK2 (1.00) ROCK2
SCHEMBL18048662 0.75 ROCK2 (1.00) 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
CN-107406426-B Cyclic ureas as ROCK inhibitors 百时美施贵宝公司 2020-11-20 CN claimed