SCHEMBL4742969

SCHEMBL4742969

Cc1ccc(COCC[N+](C)(C)Cc2cnc(C(O)(c3ccccc3)C3CCCCCCC3)o2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.38
CHRM3 P20309 9/20 0.36
KCNH2 Q12809 3/20 0.36
CHRM2 P08172 7/20 0.35
CHRM1 P11229 7/20 0.35
SLC6A3 Q01959 1/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.32
CHRM4 P08173 4/20 0.32
CHRM5 P08912 4/20 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
SCHEMBL13329593 1.00 HRH1 (0.38) HRH1CHRM3KCNH2CHRM2CHRM1
SCHEMBL13329581 1.00 HRH1 (0.38) HRH1CHRM3KCNH2CHRM2CHRM1
SCHEMBL4783525 0.99 HRH1 (0.39) HRH1CHRM3KCNH2CHRM2CHRM1
SCHEMBL4742510 0.97 HRH1 (0.39) HRH1CHRM3KCNH2CHRM2CHRM1
SCHEMBL1109886 0.95 HRH1 (0.35) HRH1CHRM3KCNH2CHRM2CHRM1
SCHEMBL1109891 0.95 CHRM2 (0.37) HRH1CHRM3KCNH2CHRM2CHRM1
SCHEMBL1109893 0.95 CHRM2 (0.37) HRH1CHRM3KCNH2CHRM2CHRM1
SCHEMBL1109884 0.94 HRH1 (0.35) HRH1CHRM3KCNH2CHRM2CHRM1
Bromide SCHEMBL2877676 0.94 CHRM2 (0.36) HRH1CHRM3KCNH2CHRM2CHRM1
Bromide SCHEMBL2877682 0.94 CHRM2 (0.36) HRH1CHRM3KCNH2CHRM2CHRM1

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