SCHEMBL5667487

SCHEMBL5667487

COc1ccc(C)cc1C(CCNN(C(C)C)C(C)C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.45
CHRM2 P08172 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
HRH1 P35367 2/20 0.45
LMNA P02545 2/20 0.45
ESR1 P03372 1/20 0.45
CHRM4 P08173 1/20 0.45
MAPT P10636 1/20 0.45
KCNE1 P15382 1/20 0.45
PTGS1 P23219 1/20 0.45
HRH2 P25021 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
KCNQ1 P51787 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45

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
SCHEMBL3687851 0.84 KMT2A (0.48) OPRK1CHRM2CHRM5CHRM1CHRM3
Iodide SCHEMBL6674629 0.82 HTR2A (0.53) OPRK1CHRM1HRH1LMNAHTR2A
SCHEMBL2522817 0.81 CHRM2 (0.68) OPRK1CHRM2CHRM5CHRM1CHRM3
SCHEMBL614300 0.81 CHRM2 (0.68) OPRK1CHRM2CHRM5CHRM1CHRM3
Bromide SCHEMBL2528597 0.80 CHRM2 (0.67) OPRK1CHRM2CHRM5CHRM1CHRM3
Bromide SCHEMBL2528600 0.80 CHRM2 (0.67) OPRK1CHRM2CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL615546 0.80 CHRM2 (0.67) OPRK1CHRM2CHRM5CHRM1CHRM3
SCHEMBL9756347 0.80 KMT2A (0.43) OPRK1CHRM2CHRM5CHRM1CHRM3
SCHEMBL615095 0.78 MAPT (0.46) OPRK1CHRM2CHRM5CHRM1CHRM3
SCHEMBL9230552 0.77 KMT2A (0.41) OPRK1CHRM2CHRM5CHRM1CHRM3

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
EP-1419135-A4 PROCESS FOR THE PREPARATION OF TOLTERODINE RANBAXY LAB LTD (IN) 2006-01-11 EP disclosed
EP-1419135-A1 PROCESS FOR THE PREPARATION OF TOLTERODINE RANBAXY LABORATORIES, LTD. (IN) 2004-05-19 EP disclosed
WO-2003014060-A1 PROCESS FOR THE PREPARATION OF TOLTERODINE RANBAXY LABORATORIES LIMITED (IN) 2003-02-20 WO disclosed