SCHEMBL14040973

SCHEMBL14040973

O=C(CC(c1ccc(Cl)cc1)c1ccccn1)NCCCCc1c[nH]cn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.43
LMNA P02545 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
ADRA2B P18089 2/20 0.42
SLC6A2 P23975 2/20 0.42
HRH2 P25021 2/20 0.42
HTR2A P28223 2/20 0.42
SLC6A4 P31645 2/20 0.42
HRH1 P35367 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42

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 0.93 SMN1; SMN2 (0.46) BLMLMNAPMP22NPSR1CHRM2
SCHEMBL14040975 0.90 BLM (0.46) BLMLMNAPMP22NPSR1CHRM2
SCHEMBL14040951 0.84 THRB (0.39) LMNANPSR1L3MBTL1THRB
SCHEMBL14040795 0.84 TACR1 (0.47) LMNANPSR1
SCHEMBL8313063 0.83 HRH1 (0.48) BLMCHRM2CHRM5CHRM1ADRA2B
SCHEMBL14040972 0.82 CHRM2 (0.45) BLMLMNAPMP22NPSR1CHRM2
SCHEMBL9828176 0.82 HRH1 (0.45) BLMLMNAPMP22NPSR1CHRM2
SCHEMBL14040970 0.81 LMNA (0.51) BLMLMNAPMP22NPSR1CHRM2
SCHEMBL7972671 0.80 TACR1 (0.51) LMNAL3MBTL1
SCHEMBL14040971 0.79 HRH1 (0.44) BLMLMNAPMP22NPSR1CHRM2

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