SCHEMBL4780964

SCHEMBL4780964

Cc1ccc(COCC[N+](C)(C)Cc2nnc(C(O)(c3ccccc3)C3CCCCC3)o2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.34
CHRM2 P08172 12/20 0.33
CHRM1 P11229 12/20 0.33
KCNH2 Q12809 3/20 0.33
LMNA P02545 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRM3 P20309 11/20 0.31
CHRM4 P08173 10/20 0.31
CHRM5 P08912 10/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL4727024 0.94 CHRM2 (0.33) HRH1CHRM2CHRM1KCNH2LMNA
SCHEMBL4779780 0.85 CHRM2 (0.34) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL4778055 0.84 CHRM2 (0.37) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL4879156 0.83 KCNH2 (0.38) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL523789 0.80 CHRM2 (0.33) HRH1CHRM2CHRM1KCNH2LMNA
SCHEMBL523790 0.80 CHRM2 (0.33) HRH1CHRM2CHRM1KCNH2LMNA
Bromide SCHEMBL1179592 0.79 CHRM2 (0.33) HRH1CHRM2CHRM1KCNH2LMNA
Bromide SCHEMBL1179587 0.79 CHRM2 (0.33) HRH1CHRM2CHRM1KCNH2LMNA
SCHEMBL4743333 0.79 LMNA (0.33) HRH1CHRM2CHRM1KCNH2LMNA
SCHEMBL4777960 0.78 TSHR (0.35) HRH1CHRM2CHRM1KCNH2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO claimed
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed