SCHEMBL4741997

SCHEMBL4741997

C[N+](C)(CCOCCc1ccc(Cl)c(Cl)c1)Cc1cnc(C(O)(c2ccccc2)C2CCCCC2)o1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.33
CHRM2 P08172 7/20 0.33
KCNH2 Q12809 2/20 0.33
LMNA P02545 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNA5 P22460 1/20 0.32
SCN5A Q14524 1/20 0.32
CHRM3 P20309 7/20 0.31
CHRM5 P08912 6/20 0.31
CHRM4 P08173 5/20 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
HRH1 P35367 1/20 0.30
CYP19A1 P11511 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
SCHEMBL4741995 1.00 CHRM1 (0.33) CHRM1CHRM2KCNH2LMNASLC6A3
SCHEMBL523789 0.93 CHRM2 (0.33) CHRM1CHRM2KCNH2LMNASLC6A3
SCHEMBL523790 0.93 CHRM2 (0.33) CHRM1CHRM2KCNH2LMNASLC6A3
Bromide SCHEMBL1179587 0.92 CHRM2 (0.33) CHRM1CHRM2KCNH2LMNASLC6A3
Bromide SCHEMBL1179592 0.92 CHRM2 (0.33) CHRM1CHRM2KCNH2LMNASLC6A3
SCHEMBL4743333 0.92 LMNA (0.33) CHRM1CHRM2KCNH2LMNASLC6A3
SCHEMBL4741478 0.91 CYP19A1 (0.37) CHRM1CHRM2KCNH2LMNASLC6A3
SCHEMBL4741480 0.91 CYP19A1 (0.37) CHRM1CHRM2KCNH2LMNASLC6A3
SCHEMBL524178 0.90 CHRM2 (0.36) CHRM1CHRM2KCNH2LMNASLC6A3
SCHEMBL4743343 0.90 CHRM2 (0.36) CHRM1CHRM2KCNH2LMNASLC6A3

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