SCHEMBL4744082

SCHEMBL4744082

Cc1ccc(OCC[N+](C)(C)Cc2cnc(C(O)(c3ccccc3)C3CCCC3)o2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
CHRNA7 P36544 2/20 0.37
LMNA P02545 1/20 0.36
HRH1 P35367 4/20 0.36
CYP19A1 P11511 1/20 0.36
MEN1 O00255 6/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35
KMT2A Q03164 2/20 0.35
NPY2R P49146 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADRA1A P35348 1/20 0.34
CHRM3 P20309 1/20 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
SCHEMBL4743356 0.99 CHRNA7 (0.38) KCNH2CHRNA7LMNAHRH1CYP19A1
SCHEMBL4743355 0.99 CHRNA7 (0.38) KCNH2CHRNA7LMNAHRH1CYP19A1
SCHEMBL1109792 0.95 KCNH2 (0.39) KCNH2CHRNA7HRH1CYP19A1MEN1
SCHEMBL1109795 0.95 KCNH2 (0.39) KCNH2CHRNA7HRH1CYP19A1MEN1
SCHEMBL14101216 0.94 LMNA (0.39) KCNH2CHRNA7LMNAHRH1CYP19A1
Bromide SCHEMBL2876849 0.94 KCNH2 (0.38) KCNH2CHRNA7LMNAHRH1CYP19A1
Bromide SCHEMBL2876843 0.94 KCNH2 (0.38) KCNH2CHRNA7LMNAHRH1CYP19A1
SCHEMBL1109773 0.93 CHRNA7 (0.39) KCNH2CHRNA7LMNAHRH1CYP19A1
SCHEMBL1109774 0.93 CHRNA7 (0.39) KCNH2CHRNA7LMNAHRH1CYP19A1
SCHEMBL4744134 0.92 CHRM3 (0.38) KCNH2CHRNA7LMNAHRH1CYP19A1

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