SCHEMBL22248447

SCHEMBL22248447

CC(COc1ccc(-n2ccc(N)nc2=O)cc1)N1CCC(N)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
DRD3 P35462 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
ROCK2 O75116 3/20 0.35
GPR119 Q8TDV5 3/20 0.34
MCHR1 Q99705 2/20 0.34
KCNH2 Q12809 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
SCHEMBL22249163 0.84 ROCK2 (0.39) HRH3ROCK2MCHR1KCNH2
SCHEMBL22248443 0.82 SIGMAR1 (0.33) SIGMAR1DRD3ROCK2MCHR1KCNH2
SCHEMBL22248679 0.79 DRD3 (0.35) SIGMAR1DRD3GPR119MCHR1
SCHEMBL22248445 0.78 SIGMAR1 (0.30) SIGMAR1ROCK2
SCHEMBL25532099 0.75 LGMN (0.36) ROCK2
SCHEMBL25532205 0.74 ROCK2 (0.42) ROCK2MCHR1KCNH2
SCHEMBL22254172 0.73 LMNA (0.36) ROCK2KCNH2
SCHEMBL22235717 0.73 XDH (0.34) ROCK2MCHR1KCNH2
SCHEMBL22248654 0.73 ROCK2 (0.50) SIGMAR1DRD3HRH3ROCK2
SCHEMBL22254180 0.72 MCHR1 (0.35) SIGMAR1DRD3ROCK2MCHR1

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