SCHEMBL4783504

SCHEMBL4783504

C[N+](C)(CCOc1ccccc1)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
KCNH2 Q12809 4/20 0.39
CHRM3 P20309 3/20 0.38
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
CYP2D6 P10635 1/20 0.38
CHRNA7 P36544 2/20 0.38
SLC6A3 Q01959 2/20 0.37
CYP19A1 P11511 1/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRA1A P35348 1/20 0.36
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
ESR1 P03372 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL4741476 0.95 KCNH2 (0.40) LMNAKCNH2CHRM3CHRM2CHRM1
SCHEMBL4739872 0.94 KCNH2 (0.39) LMNAKCNH2CHRM3CHRM2CHRM1
SCHEMBL4741477 0.87 LMNA (0.38) LMNAKCNH2CHRM3CHRM2CHRM1
SCHEMBL14101216 0.81 LMNA (0.39) LMNAKCNH2CHRM3CHRM2CHRM1
SCHEMBL14291724 0.81 KCNH2 (0.40) LMNAKCNH2CHRM3CHRM2CHRM1
SCHEMBL14101285 0.80 FDPS (0.40) KCNH2CHRM3CHRM2CHRM1MEN1
SCHEMBL1109774 0.80 CHRNA7 (0.39) LMNAKCNH2CHRM3CHRM2CHRM1
SCHEMBL1109773 0.80 CHRNA7 (0.39) LMNAKCNH2CHRM3CHRM2CHRM1
Bromide SCHEMBL4726878 0.80 KCNH2 (0.40) LMNAKCNH2CHRM3CHRM2CHRM1
SCHEMBL4725279 0.79 KCNH2 (0.39) LMNAKCNH2CHRM3CHRM2CHRM1

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