SCHEMBL4777960

SCHEMBL4777960

C[N+](C)(CCOCc1ccc(Cl)c(Cl)c1)Cc1noc(C(O)(c2ccccc2)C2CCCCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
KCNH2 Q12809 2/20 0.33
LMNA P02545 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HRH1 P35367 1/20 0.31
SSTR3 P32745 1/20 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
Formic Acid SCHEMBL4782530 0.96 LMNA (0.33) TSHRMAPK1TDP1CHRM2CHRM1
Formic Acid SCHEMBL4782526 0.95 LMNA (0.32) TSHRMAPK1TDP1CHRM2CHRM1
SCHEMBL4782484 0.91 CHRM3 (0.36) CHRM2CHRM1KCNH2LMNASLC6A3
Formic Acid SCHEMBL4794874 0.87 CHRM3 (0.34) CHRM2CHRM1KCNH2LMNASLC6A3
Formic Acid SCHEMBL4794869 0.87 CHRM3 (0.34) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL4726613 0.85 TSHR (0.35) TSHRMAPK1TDP1CHRM2CHRM1
SCHEMBL4727024 0.85 CHRM2 (0.33) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL4779685 0.85 CHRM2 (0.33) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL4725244 0.84 KCNH2 (0.36) TSHRTDP1CHRM2CHRM1KCNH2
SCHEMBL523789 0.84 CHRM2 (0.33) CHRM2CHRM1KCNH2LMNASLC6A3

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