SCHEMBL4783528

SCHEMBL4783528

C[N+](C)(CCOCc1ccccc1)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
CHRM2 P08172 12/20 0.35
CHRM1 P11229 12/20 0.35
KCNH2 Q12809 4/20 0.35
SLC6A3 Q01959 4/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM3 P20309 11/20 0.34
CHRM4 P08173 9/20 0.34
CHRM5 P08912 9/20 0.34
CYP2D6 P10635 3/20 0.34
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
APAF1 O14727 3/20 0.34
USP2 O75604 3/20 0.34
TP53 P04637 3/20 0.34

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
SCHEMBL1109891 0.99 CHRM2 (0.37) LMNACHRM2CHRM1KCNH2SLC6A3
SCHEMBL1109893 0.99 CHRM2 (0.37) LMNACHRM2CHRM1KCNH2SLC6A3
Bromide SCHEMBL2877682 0.98 CHRM2 (0.36) LMNACHRM2CHRM1KCNH2SLC6A3
Bromide SCHEMBL2877676 0.98 CHRM2 (0.36) LMNACHRM2CHRM1KCNH2SLC6A3
SCHEMBL4739912 0.98 LMNA (0.35) LMNACHRM2CHRM1KCNH2SLC6A3
SCHEMBL4783525 0.95 HRH1 (0.39) LMNACHRM2CHRM1KCNH2SLC6A3
SCHEMBL1109819 0.94 CHRM2 (0.36) LMNACHRM2CHRM1KCNH2SLC6A3
SCHEMBL1109818 0.94 CHRM2 (0.36) LMNACHRM2CHRM1KCNH2SLC6A3
SCHEMBL13329593 0.94 HRH1 (0.38) LMNACHRM2CHRM1KCNH2SLC6A3
SCHEMBL4742969 0.94 HRH1 (0.38) LMNACHRM2CHRM1KCNH2SLC6A3

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