SCHEMBL22248442

SCHEMBL22248442

CC(CN1CC2C(CN)[C@@H]2C1)Oc1ccc(-n2ccc(N)nc2=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.33
ROCK2 O75116 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
CYP11B2 P19099 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
LTA4H P09960 1/20 0.31
FGFR1 P11362 1/20 0.30
ADORA2A P29274 1/20 0.30
SLC22A6 Q4U2R8 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
SCHEMBL22254180 0.88 MCHR1 (0.35) MCHR1ROCK2SIGMAR1CYP11B2DRD2
SCHEMBL22248381 0.85 ROCK2 (0.35) ROCK2
SCHEMBL25532191 0.84 SIGMAR1 (0.38) MCHR1ROCK2SIGMAR1DRD2DRD3
SCHEMBL25554621 0.84 SIGMAR1 (0.38) MCHR1ROCK2SIGMAR1DRD2DRD3
SCHEMBL22248444 0.81 MCHR1 (0.40) MCHR1ROCK2
SCHEMBL22248443 0.80 SIGMAR1 (0.33) MCHR1ROCK2SIGMAR1CYP11B2DRD3
SCHEMBL22248383 0.79 ROCK2 (0.47) MCHR1ROCK2
Hydrochloric Acid SCHEMBL30276595 0.77 DRD2 (0.31) DRD2DRD3
SCHEMBL22248453 0.77 ROCK2 (0.41) MCHR1ROCK2
SCHEMBL22249180 0.76 ROCK2 (0.36) MCHR1ROCK2

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