SCHEMBL7296357

SCHEMBL7296357

O=c1ccc2ccc(NC3CCN(Cc4ccccc4)CC3)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.61
ROCK1 Q13464 6/20 0.61
CCR2 P41597 3/20 0.61
ITK Q08881 2/20 0.55
MALT1 Q9UDY8 1/20 0.51
PARP14 Q460N5 1/20 0.51
ACHE P22303 3/20 0.50
BCHE P06276 2/20 0.50
BACE1 P56817 1/20 0.50
PDK2 Q15119 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
JAK1 P23458 1/20 0.48
LTA4H P09960 1/20 0.47
DRD4 P21917 1/20 0.47
SLC6A12 P48065 1/20 0.47
SLC6A13 Q9NSD5 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL5405680 0.85 ROCK2 (0.62) ROCK2ROCK1CCR2ITKMALT1
SCHEMBL4833796 0.83 ROCK2 (0.64) ROCK2ROCK1CCR2ITKACHE
SCHEMBL5409256 0.81 ROCK2 (0.83) ROCK2ROCK1CCR2KDM4E
Hydrochloric Acid SCHEMBL5409061 0.80 ROCK2 (0.82) ROCK2ROCK1CCR2KDM4E
SCHEMBL8264491 0.79 AR (0.51) ROCK2ROCK1ITKKDM4E
SCHEMBL4309421 0.77 CNR1 (0.58) ROCK2ROCK1ACHEKDM4EGAA
SCHEMBL918426 0.77 KDM4E (0.66) ROCK2ROCK1CCR2MALT1ACHE
SCHEMBL3319580 0.76 ROCK2 (0.58) ROCK2ROCK1CCR2ITKMALT1
SCHEMBL7286870 0.76 KDM4E (0.67) ROCK2ROCK1CCR2MALT1ACHE
SCHEMBL923860 0.76 LMNA (0.68) ROCK2ROCK1CCR2MALT1ACHE

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-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed