SCHEMBL4741476

SCHEMBL4741476

C[N+](C)(CCCOc1ccccc1)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.40
MEN1 O00255 6/20 0.38
CHRM3 P20309 2/20 0.38
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A3 Q01959 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
CYP19A1 P11511 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
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 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
SCHEMBL4739872 0.99 KCNH2 (0.39) KCNH2MEN1CHRM3CHRM2CHRM1
SCHEMBL4783504 0.95 LMNA (0.39) KCNH2MEN1CHRM3CHRM2CHRM1
SCHEMBL14291724 0.85 KCNH2 (0.40) KCNH2MEN1CHRM3CHRM2CHRM1
Bromide SCHEMBL4726878 0.85 KCNH2 (0.40) KCNH2MEN1CHRM3CHRM2CHRM1
SCHEMBL4725279 0.84 KCNH2 (0.39) KCNH2MEN1CHRM3CHRM2CHRM1
SCHEMBL4741477 0.84 LMNA (0.38) KCNH2MEN1CHRM3CHRM2CHRM1
SCHEMBL1109814 0.84 CHRM2 (0.40) KCNH2MEN1CHRM3CHRM2CHRM1
Bromide SCHEMBL1110634 0.83 LMNA (0.41) KCNH2MEN1CHRM3CHRM2CHRM1
SCHEMBL14291870 0.83 KCNH2 (0.38) KCNH2MEN1CHRM3CHRM2CHRM1
SCHEMBL14101285 0.81 FDPS (0.40) KCNH2MEN1CHRM3CHRM2CHRM1

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