SCHEMBL7835172

SCHEMBL7835172

O=C1N(c2ccc(Cl)cc2)CCN1c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.63
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
CYP11B2 P19099 8/20 0.54
CYP11B1 P15538 6/20 0.54
DRD2 P14416 3/20 0.52
DRD3 P35462 2/20 0.52
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SCN9A Q15858 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GRM1 Q13255 1/20 0.43

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
SCHEMBL7833832 0.86 CYP11B2 (0.56) HDAC1ROCK2ROCK1CYP11B2CYP11B1
SCHEMBL7837571 0.86 HDAC1 (0.64) HDAC1ROCK2ROCK1CYP11B2CYP11B1
SCHEMBL7835211 0.84 HDAC1 (0.63) HDAC1ROCK2ROCK1CYP11B2CYP11B1
SCHEMBL7824524 0.81 SCN9A (0.55) HDAC1ROCK2ROCK1CYP11B2CYP11B1
SCHEMBL7838797 0.81 HDAC1 (0.62) HDAC1ROCK2ROCK1CYP11B2DRD2
SCHEMBL7832804 0.80 HDAC1 (0.57) HDAC1ROCK2ROCK1CYP11B2CYP11B1
SCHEMBL7838297 0.79 HDAC1 (0.68) HDAC1ROCK2DRD2DRD3RAB9A
SCHEMBL9675918 0.78 DRD2 (0.53) HDAC1ROCK2ROCK1CYP11B2CYP11B1
SCHEMBL6263139 0.78 DRD2 (0.53) HDAC1ROCK2ROCK1CYP11B2CYP11B1
SCHEMBL3787527 0.78 CYP17A1 (0.62) HDAC1ROCK2ROCK1CYP11B2CYP11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719773-B1 IMIDAZOLIDINONE DERIVATIVE, ACID-ADDITION SALT THEREOF, AND REMEDY FOR SENILE DEMENTIA KYORIN SEIYAKU KK (JP) 2001-11-21 EP disclosed
US-5789425-A Imidazolidinone derivatives, their acid adducts and therapeutic drugs for senile dementia KYORIN PHARMACEUTICAL CO., LTD. (JP) 1998-08-04 US disclosed
EP-0719773-A1 IMIDAZOLIDINONE DERIVATIVE, ACID-ADDITION SALT THEREOF, AND REMEDY FOR SENILE DEMENTIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed