SCHEMBL22248399

SCHEMBL22248399

NC[C@@H]1[C@H]2CCN(Cc3ccc(-n4ccc(N)nc4=O)cc3)C[C@@H]12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.49
MCHR1 Q99705 7/20 0.33
PTPN11 Q06124 1/20 0.31
CCR2 P41597 1/20 0.31
ROCK1 Q13464 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL22248383 0.92 ROCK2 (0.47) ROCK2MCHR1PTPN11
SCHEMBL22248453 0.84 ROCK2 (0.41) ROCK2MCHR1
SCHEMBL22248434 0.82 ROCK2 (0.39) ROCK2
SCHEMBL22248938 0.81 ROCK2 (0.48) ROCK2MCHR1
SCHEMBL22249157 0.81 ROCK2 (0.48) ROCK2MCHR1
SCHEMBL22248654 0.81 ROCK2 (0.50) ROCK2
SCHEMBL22254520 0.81 ROCK2 (0.48) ROCK2MCHR1
SCHEMBL22254166 0.81 ROCK2 (0.51) ROCK2MCHR1PTPN11GAA
SCHEMBL22254159 0.81 ROCK2 (0.51) ROCK2MCHR1PTPN11GAA
SCHEMBL25532196 0.81 ROCK2 (0.51) ROCK2MCHR1PTPN11GAA

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