SCHEMBL4728205

SCHEMBL4728205

C[N+](C)(CCCOc1ccccc1)Cc1cc(C(O)(c2ccccc2)c2ccccc2)on1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.39
CHRM2 P08172 7/20 0.39
CHRM1 P11229 7/20 0.39
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
SLC6A2 P23975 3/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 3/20 0.39
MLNR O43193 2/20 0.39
NR1I2 O75469 2/20 0.39
ESR1 P03372 2/20 0.39
NR3C1 P04150 2/20 0.39
PGR P06401 2/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
HTR1A P08908 2/20 0.39

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
Bromide SCHEMBL4726181 0.99 ALDH1A1 (0.40) CHRM3CHRM2CHRM1ADRA2AADRA2B
SCHEMBL4725530 0.90 CHRM3 (0.41) CHRM3CHRM2CHRM1ADRA2AADRA2B
Bromide SCHEMBL4727947 0.89 LMNA (0.42) CHRM3CHRM2CHRM1ADRA2AADRA2B
SCHEMBL4726296 0.85 KCNH2 (0.39) CHRM3CHRM2CHRM1SLC6A3KCNH2
SCHEMBL14291720 0.81 CHRM2 (0.40) CHRM3CHRM2CHRM1ADRA2AADRA2B
SCHEMBL4727232 0.80 CHRM3 (0.40) CHRM3CHRM2CHRM1ADRA2AADRA2B
SCHEMBL4726150 0.78 CHRM2 (0.39) CHRM3CHRM2CHRM1ADRA2AADRA2B
SCHEMBL4727424 0.78 CHRM2 (0.39) CHRM3CHRM2CHRM1ADRA2AADRA2B
Bromide SCHEMBL4795145 0.77 LMNA (0.40) CHRM3CHRM2CHRM1ADRA2AADRA2B
Bromide SCHEMBL4779697 0.77 SMN1; SMN2 (0.40) CHRM3CHRM2CHRM1ADRA2AADRA2B

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-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO claimed
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed