SCHEMBL4726751

SCHEMBL4726751

C[N+](C)(CCCOc1ccc(Cl)c(Cl)c1)Cc1cc(C(O)(c2ccccc2)C2CCCCC2)no1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
KCNH2 Q12809 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 6/20 0.33
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL4726130 0.96 POLB (0.37) POLBMAPTTDP1L3MBTL1HDAC6
SCHEMBL4726237 0.90 KCNH2 (0.38) KCNH2CHRM2CHRM1SLC6A3MEN1
SCHEMBL523559 0.85 CYP19A1 (0.35) POLBKCNH2CHRM2CHRM1SLC6A3
SCHEMBL523560 0.85 CYP19A1 (0.35) POLBKCNH2CHRM2CHRM1SLC6A3
Bromide SCHEMBL1179776 0.84 CYP19A1 (0.35) POLBKCNH2CHRM2CHRM1SLC6A3
Bromide SCHEMBL1179774 0.84 CYP19A1 (0.35) POLBKCNH2CHRM2CHRM1SLC6A3
SCHEMBL4727653 0.84 CHRM3 (0.35) POLBMAPTTDP1L3MBTL1HDAC6
SCHEMBL4779685 0.84 CHRM2 (0.33) L3MBTL1KCNH2CHRM2CHRM1SLC6A3
SCHEMBL4741472 0.84 KCNH2 (0.35) POLBMAPTTDP1L3MBTL1KCNH2
Bromide SCHEMBL4727384 0.84 CHRM3 (0.35) POLBMAPTTDP1L3MBTL1HDAC6

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 3 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
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed