SCHEMBL4743333

SCHEMBL4743333

C[N+](C)(CCOCc1ccc(Cl)c(Cl)c1)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)o1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CHRM2 P08172 6/20 0.32
CHRM1 P11229 6/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HRH1 P35367 1/20 0.31
ALOX5 P09917 1/20 0.31
CHRM3 P20309 6/20 0.30
CHRM4 P08173 5/20 0.30
CHRM5 P08912 5/20 0.30
NPC1 O15118 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL523790 0.99 CHRM2 (0.33) LMNACHRM2CHRM1SLC6A3KCNH2
SCHEMBL523789 0.99 CHRM2 (0.33) LMNACHRM2CHRM1SLC6A3KCNH2
Bromide SCHEMBL1179587 0.98 CHRM2 (0.33) LMNACHRM2CHRM1SLC6A3KCNH2
Bromide SCHEMBL1179592 0.98 CHRM2 (0.33) LMNACHRM2CHRM1SLC6A3KCNH2
SCHEMBL1180205 0.95 TACR1 (0.33) LMNACHRM2CHRM1SLC6A3KCNH2
SCHEMBL1109929 0.95 TACR1 (0.33) LMNACHRM2CHRM1SLC6A3KCNH2
SCHEMBL1109925 0.94 LMNA (0.32) LMNACHRM2CHRM1SLC6A3KCNH2
SCHEMBL4741995 0.92 CHRM1 (0.33) LMNACHRM2CHRM1SLC6A3KCNH2
SCHEMBL4741997 0.92 CHRM1 (0.33) LMNACHRM2CHRM1SLC6A3KCNH2
SCHEMBL435135 0.90 CYP19A1 (0.37) LMNACHRM2CHRM1SLC6A3KCNH2

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-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO claimed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed