SCHEMBL4742510

SCHEMBL4742510

Cc1ccc(COCC[N+](C)(C)Cc2cnc(C(O)(c3ccccc3)C3CCC3)o2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.39
CHRM3 P20309 8/20 0.37
KCNH2 Q12809 3/20 0.36
LMNA P02545 3/20 0.33
CHRM2 P08172 4/20 0.32
CHRM1 P11229 4/20 0.32
SLC6A3 Q01959 3/20 0.32
MEN1 O00255 3/20 0.31
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2J2 P51589 1/20 0.31
CYP2D6 P10635 2/20 0.30
TSHR P16473 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
CYP1A2 P05177 1/20 0.30
SLC6A2 P23975 2/20 0.30
PDE4A P27815 2/20 0.30
SLC6A4 P31645 2/20 0.30
OPRM1 P35372 2/20 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
SCHEMBL4783525 0.98 HRH1 (0.39) HRH1CHRM3KCNH2LMNACHRM2
SCHEMBL13329593 0.97 HRH1 (0.38) HRH1CHRM3KCNH2LMNACHRM2
SCHEMBL4742969 0.97 HRH1 (0.38) HRH1CHRM3KCNH2LMNACHRM2
SCHEMBL13329581 0.97 HRH1 (0.38) HRH1CHRM3KCNH2LMNACHRM2
SCHEMBL4739912 0.95 LMNA (0.35) HRH1CHRM3KCNH2LMNACHRM2
SCHEMBL4783528 0.93 LMNA (0.37) HRH1CHRM3KCNH2LMNACHRM2
SCHEMBL1109886 0.93 HRH1 (0.35) HRH1CHRM3KCNH2LMNACHRM2
SCHEMBL1109884 0.92 HRH1 (0.35) HRH1CHRM3KCNH2LMNACHRM2
SCHEMBL1109891 0.92 CHRM2 (0.37) HRH1CHRM3KCNH2LMNACHRM2
SCHEMBL1109893 0.92 CHRM2 (0.37) HRH1CHRM3KCNH2LMNACHRM2

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