SCHEMBL22249161

SCHEMBL22249161

Nc1ccn(-c2ccc(CN3CCC4(CCC4N)CC3)cc2)c(=O)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.46
PTPN11 Q06124 13/20 0.35
MCHR1 Q99705 1/20 0.31

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
SCHEMBL22248957 0.89 ROCK2 (0.41) ROCK2PTPN11MCHR1
SCHEMBL22248651 0.87 ROCK2 (0.46) ROCK2PTPN11
SCHEMBL22249159 0.85 ROCK2 (0.46) ROCK2
SCHEMBL22248654 0.84 ROCK2 (0.50) ROCK2
SCHEMBL22248674 0.83 ROCK2 (0.47) ROCK2
SCHEMBL22248684 0.81 ROCK2 (0.47) ROCK2
SCHEMBL22248932 0.80 ROCK2 (0.40) ROCK2PTPN11MCHR1
SCHEMBL22254490 0.79 ROCK2 (0.49) ROCK2MCHR1
SCHEMBL22249164 0.77 ROCK2 (0.47) ROCK2MCHR1
SCHEMBL22249157 0.77 ROCK2 (0.48) ROCK2MCHR1

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-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed