SCHEMBL9212183

SCHEMBL9212183

COc1cc(C(=O)NC(C)(C)C)ccc1Cc1cc(Cl)cc2c1NC(=O)C2(NCCCCCN)c1ccccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
ANO1 Q5XXA6 3/20 0.32
HDAC8 Q9BY41 2/20 0.32
IP6K1 Q92551 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PLA2G4A P47712 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
MDM4 O15151 1/20 0.32
MDM2 Q00987 1/20 0.32
PDE4D Q08499 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL9212102 0.86 ROCK2 (0.36) ROCK2ROCK1ANO1HDAC8IP6K1
SCHEMBL9220003 0.84 ANO1 (0.37) ROCK2ROCK1ANO1HDAC8IP6K1
SCHEMBL7462162 0.80 MAPT (0.39) DRD2DRD4DRD3MDM4MDM2
SCHEMBL9213702 0.76 SIRT2 (0.34) ANO1IP6K1
SCHEMBL9220670 0.72 ROCK2 (0.36) ROCK2ROCK1HDAC8IP6K1PDE4D
SCHEMBL7468992 0.71 MAPT (0.37) BRD4HDAC8DRD2DRD4DRD3
SCHEMBL9218597 0.70 HPGD (0.37) ROCK2ROCK1HDAC8IP6K1MDM2
SCHEMBL9219764 0.70 AR (0.36) ANO1IP6K1
SCHEMBL7471675 0.69 OXTR (0.43) PTGDR2
SCHEMBL9212844 0.68 THRB (0.33) ROCK2ROCK1HDAC8PDE4D

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-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed