SCHEMBL7837571

SCHEMBL7837571

Nc1ccc(N2CCN(c3cccnc3)C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.64
ROCK2 O75116 1/20 0.57
ROCK1 Q13464 1/20 0.57
DRD2 P14416 2/20 0.53
DRD3 P35462 1/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
SCN9A Q15858 1/20 0.47
CYP11B2 P19099 3/20 0.47
CYP11B1 P15538 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41

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
SCHEMBL7835211 0.86 HDAC1 (0.63) HDAC1ROCK2ROCK1DRD2DRD3
SCHEMBL7835172 0.86 HDAC1 (0.63) HDAC1ROCK2ROCK1DRD2DRD3
SCHEMBL7838797 0.82 HDAC1 (0.62) HDAC1ROCK2ROCK1DRD2DRD3
SCHEMBL7832804 0.81 HDAC1 (0.57) HDAC1ROCK2ROCK1DRD2DRD3
SCHEMBL3787527 0.79 CYP17A1 (0.62) HDAC1ROCK2ROCK1DRD2DRD3
SCHEMBL27774657 0.79 DRD2 (0.58) HDAC1ROCK2ROCK1DRD2DRD3
SCHEMBL7833832 0.78 CYP11B2 (0.56) HDAC1ROCK2ROCK1DRD2DRD3
SCHEMBL1645032 0.78 CHRNB2 (0.56) MEN1NPC1RAB9AKMT2AHTT
SCHEMBL7832778 0.78 HDAC1 (0.64) HDAC1ROCK2ROCK1DRD2DRD3
SCHEMBL7824524 0.76 SCN9A (0.55) HDAC1ROCK2ROCK1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803250-B 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2014-04-16 CN claimed
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