SCHEMBL14040972

SCHEMBL14040972

N=C(CC(c1ccc(Cl)cc1)c1ccccn1)NCCc1c[nH]cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
ADRA2B P18089 2/20 0.45
SLC6A2 P23975 2/20 0.45
HRH2 P25021 2/20 0.45
HTR2A P28223 2/20 0.45
SLC6A4 P31645 2/20 0.45
HRH1 P35367 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KCNH2 Q12809 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
ADRA1A P35348 1/20 0.45
SCN1A P35498 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL14040781 0.89 SMN1; SMN2 (0.46) CHRM2CHRM5CHRM1ADRA2BSLC6A2
SCHEMBL14040971 0.86 HRH1 (0.44) CHRM2CHRM5CHRM1ADRA2BSLC6A2
SCHEMBL9828176 0.83 HRH1 (0.45) CHRM2CHRM5CHRM1ADRA2BSLC6A2
SCHEMBL14040973 0.82 BLM (0.43) CHRM2CHRM5CHRM1ADRA2BSLC6A2
SCHEMBL14040975 0.79 BLM (0.46) CHRM2CHRM5CHRM1ADRA2BSLC6A2
SCHEMBL8313063 0.78 HRH1 (0.48) CHRM2CHRM5CHRM1ADRA2BSLC6A2
SCHEMBL14040788 0.77 LMNA (0.53) CHRM2CHRM5CHRM1ADRA2BSLC6A2
SCHEMBL9710041 0.76 NPY1R (0.54)
SCHEMBL14040970 0.75 LMNA (0.51) CHRM2CHRM5CHRM1ADRA2BSLC6A2
SCHEMBL9827663 0.75 ALDH1A1 (0.40) CHRM2SLC6A2SLC6A4SCN1ASCN2A

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-1318983-B1 SUBSTITUTED IMIDAZOLES AS HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORP (US) 2008-10-22 EP disclosed