SCHEMBL14079646

SCHEMBL14079646

BCCCSc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.43
DRD2 P14416 9/20 0.43
HTR2A P28223 9/20 0.43
DRD3 P35462 9/20 0.43
HTR7 P34969 4/20 0.43
HTR2B P41595 3/20 0.43
DRD1 P21728 4/20 0.42
DRD5 P21918 4/20 0.42
SIGMAR1 Q99720 1/20 0.42
HRH1 P35367 3/20 0.39
ADRA2C P18825 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2C P28335 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL15013797 0.86 HTR1A (0.47) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL5252015 0.78 CA2 (0.55) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL4654113 0.78 HTR1A (0.43) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL2566343 0.78 HTR1A (0.43) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL5979697 0.78 HTR1A (0.43) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL424976 0.78 MAOA (0.53) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL5636661 0.78 DRD2 (0.45) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL5694454 0.77 MAOA (0.47) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL7823518 0.77 HTR1A (0.42) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL10483962 0.75 DRD2 (0.43) HTR1ADRD2HTR2ADRD3HTR7

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-1776356-B1 ALKYL-AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATES BOEHRINGER INGELHEIM INT (DE) 2008-09-17 EP disclosed