SCHEMBL17907015

SCHEMBL17907015

O=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NC4CCCN(Cc5cccnc5)C4)cc2S3)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.46
CCR2 P41597 3/20 0.46
ROCK1 Q13464 3/20 0.46
ATM Q13315 2/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
PARP14 Q460N5 1/20 0.39

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
SCHEMBL17819940 0.96 ATM (0.42) ROCK2CCR2ROCK1ATMPIK3C3
SCHEMBL17819675 0.94 ATM (0.43) ROCK2CCR2ROCK1ATMPIK3C3
SCHEMBL17820182 0.93 ROCK2 (0.46) ROCK2CCR2ROCK1ATMPIK3C3
SCHEMBL17820572 0.92 ATM (0.43) ROCK2CCR2ROCK1ATMPIK3C3
SCHEMBL17820848 0.88 ROCK2 (0.45) ROCK2ROCK1ATMPIK3C3PARP14
SCHEMBL17819474 0.87 ATM (0.42) ATMPIK3C3
SCHEMBL17820608 0.85 ATM (0.47) ATMPIK3C3
SCHEMBL17819472 0.85 ATM (0.46) ROCK2CCR2ROCK1ATMPIK3C3
SCHEMBL17819690 0.84 ATM (0.48) ROCK2ATMPIK3C3
SCHEMBL17906787 0.84 ATM (0.45) ROCK2ATMPIK3C3

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
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed