SCHEMBL22249165

SCHEMBL22249165

CC(C)(CN1C[C@@H]2[C@@H](CN)[C@@H]2C1)c1ccc(-n2ccc(N)nc2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.35
DPP4 P27487 1/20 0.31
CACNA1F O60840 2/20 0.30
LMNA P02545 2/20 0.30
ALB P02768 2/20 0.30
MAPT P10636 2/20 0.30
CACNA1D Q01668 2/20 0.30
CACNA1S Q13698 2/20 0.30
CACNA1C Q13936 2/20 0.30
PDE3A Q14432 2/20 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 0.81 ROCK2 (0.47) ROCK2DPP4CACNA1FLMNAALB
SCHEMBL22248453 0.79 ROCK2 (0.41) ROCK2
SCHEMBL22249158 0.79 ROCK2 (0.33) ROCK2
SCHEMBL22248381 0.79 ROCK2 (0.35) ROCK2CACNA1FLMNAALBMAPT
SCHEMBL22248434 0.77 ROCK2 (0.39) ROCK2
SCHEMBL22248399 0.77 ROCK2 (0.49) ROCK2
SCHEMBL22248444 0.77 MCHR1 (0.40) ROCK2
Hydrochloric Acid SCHEMBL30276453 0.77
SCHEMBL22248442 0.76 MCHR1 (0.33) ROCK2
SCHEMBL22248398 0.74 ROCK2 (0.36) ROCK2

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