SCHEMBL8136283

SCHEMBL8136283

COc1ccccc1N1CCN(CCCCNc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.57
HTR1A P08908 5/20 0.57
HTR2A P28223 4/20 0.57
HTR7 P34969 4/20 0.57
HTR6 P50406 3/20 0.57
DRD3 P35462 5/20 0.55
ADRA1A P35348 4/20 0.55
ADRA1D P25100 2/20 0.53
ADRA1B P35368 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DRD4 P21917 3/20 0.52
SLC6A4 P31645 1/20 0.52
HTR2B P41595 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL8129997 0.90 DRD2 (0.56) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL8129784 0.88 DRD2 (0.59) DRD2HTR1AHTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL8129386 0.86 HTR1A (0.59) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL8135869 0.84 HTR1A (0.68) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6474943 0.80 HTR1A (0.59) DRD2HTR1AADRA1AADRA1DADRA1B
SCHEMBL8130109 0.77 DRD2 (0.64) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL9526985 0.77 HTR1A (0.61) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL9527778 0.77 HTR1A (0.58) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL9527917 0.76 HTR1A (0.60) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL8130173 0.76 DRD2 (0.71) DRD2HTR1AHTR2AHTR7HTR6

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
EP-0526434-B1 Benzimidazolone derivatives as 5-HT1A and 5-HT2 antagonists BOEHRINGER INGELHEIM ITALIA (IT) 2000-04-19 EP disclosed
US-5576318-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-11-19 US disclosed
WO-1993003016-A1 BENZIMIDAZOLONE DERIVATIVES AS 5-HT1A AND 5-HT2 ANTAGONISTS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1993-02-18 WO disclosed
EP-0526434-A1 Benzimidazolone derivatives as 5-HT1A and 5-HT2 antagonists BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1993-02-03 EP disclosed