SCHEMBL22248366

SCHEMBL22248366

Nc1ccn(-c2ccc(CN3C[C@H]4CNC[C@H]4C3)cc2)c(=O)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.49
HRH3 Q9Y5N1 1/20 0.33
MCHR1 Q99705 1/20 0.33
PAICS P22234 1/20 0.32
USP28 Q96RU2 1/20 0.32
USP25 Q9UHP3 1/20 0.32
LIPE Q05469 1/20 0.32

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
SCHEMBL22248676 0.88 ROCK2 (0.43) ROCK2MCHR1USP28USP25
SCHEMBL22249176 0.87 ROCK2 (0.47) ROCK2HRH3MCHR1LIPE
SCHEMBL22254826 0.87 ROCK2 (0.49) ROCK2HRH3MCHR1LIPE
SCHEMBL22248694 0.86 ROCK2 (0.49) ROCK2HRH3MCHR1LIPE
SCHEMBL22249164 0.86 ROCK2 (0.47) ROCK2HRH3MCHR1LIPE
SCHEMBL22254490 0.85 ROCK2 (0.49) ROCK2HRH3MCHR1
SCHEMBL20311273 0.84 ROCK2 (0.38) ROCK2HRH3PAICS
SCHEMBL22249157 0.83 ROCK2 (0.48) ROCK2HRH3MCHR1
SCHEMBL22248938 0.83 ROCK2 (0.48) ROCK2HRH3MCHR1
SCHEMBL22254520 0.83 ROCK2 (0.48) ROCK2HRH3MCHR1

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