SCHEMBL3581473

SCHEMBL3581473

NC(=O)c1cccc2nc(-c3cccc(OCCCN4CCN(c5cccc(Cl)c5)CC4)c3)[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.62
DRD3 P35462 3/20 0.62
HTR1A P08908 8/20 0.51
HTR7 P34969 2/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
CHEK2 O96017 1/20 0.47
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
PARP1 P09874 1/20 0.46
HTR2A P28223 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL3581468 0.88 PARP1 (0.62) DRD2DRD3HTR1APARP1
SCHEMBL6581372 0.80 DRD2 (0.59) DRD2DRD3HTR1AHTR7SLC6A2
SCHEMBL3575207 0.79 DYRK3 (0.53) CHEK2PARP1
SCHEMBL3580302 0.78 DYRK3 (0.54) CHEK2PARP1
SCHEMBL9006384 0.77 DRD3 (1.00) DRD2DRD3SLC6A2SLC6A4HRH2
SCHEMBL3582864 0.76 GRK6 (0.48) HTR1AHTR7SLC6A4CHEK2PARP1
SCHEMBL3574441 0.75 AURKA (0.75) DRD2DRD3HTR1ACHEK2PARP1
SCHEMBL3577822 0.75 MAP4K4 (0.72) CHEK2PARP1
SCHEMBL3578582 0.75 CHEK2 (0.56) CHEK2PARP1
SCHEMBL3577456 0.73 MAP4K4 (0.59) CHEK2PARP1

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
US-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed