SCHEMBL22248381

SCHEMBL22248381

CC(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
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
KMT2A Q03164 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
SCHEMBL22248960 0.89 ROCK2 (0.35) ROCK2CACNA1FLMNAALBMAPT
SCHEMBL22248442 0.85 MCHR1 (0.33) ROCK2
SCHEMBL22254831 0.83 ROCK2 (0.38) ROCK2KMT2A
SCHEMBL25532203 0.83 ROCK2 (0.38) ROCK2KMT2A
SCHEMBL22248383 0.81 ROCK2 (0.47) ROCK2CACNA1FLMNAALBMAPT
SCHEMBL22248453 0.79 ROCK2 (0.41) ROCK2
SCHEMBL22249180 0.79 ROCK2 (0.36) ROCK2
SCHEMBL22248398 0.79 ROCK2 (0.36) ROCK2
SCHEMBL22249165 0.79 ROCK2 (0.35) ROCK2CACNA1FLMNAALBMAPT
SCHEMBL22249184 0.78 ROCK2 (0.33) 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