Tolterodine

Tolterodine

SCHEMBL1560185

Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM2CHRM3

The experimentally established mechanism targets of Tolterodine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 9/20 1.00
CHRM2 known ✓ P08172 3/20 1.00
ADRB2 P07550 8/20 1.00
CHRM1 P11229 3/20 1.00
CHRM5 P08912 2/20 1.00
HRH1 P35367 2/20 1.00
CX3CR1 P49238 1/20 1.00
TMEM97 Q5BJF2 1/20 1.00
FFAR4 Q5NUL3 1/20 1.00
SIGMAR1 Q99720 1/20 1.00
MAPT P10636 3/20 0.84
LMNA P02545 2/20 0.84
ESR1 P03372 1/20 0.84
CHRM4 P08173 1/20 0.84
KCNE1 P15382 1/20 0.84
PTGS1 P23219 1/20 0.84
HRH2 P25021 1/20 0.84
HTR2A P28223 1/20 0.84
SLC6A4 P31645 1/20 0.84
ADRA1A P35348 1/20 0.84

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
Tolterodine SCHEMBL3098149 1.00 CHRM3 (1.00) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL6472968 1.00 CHRM3 (1.00) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL2403972 1.00 CHRM3 (1.00) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL110955 1.00 CHRM3 (1.00) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL467372 1.00 CHRM3 (1.00) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL36881 1.00 CHRM3 (1.00) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL29873356 1.00 CHRM3 (1.00) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL6024199 0.98 CHRM3 (0.96) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL6024194 0.98 CHRM3 (0.96) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL1989702 0.93 CHRM3 (0.88) CHRM3ADRB2CHRM2CHRM1CHRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017003909-A2 CHIRAL SEPARATION AND ANALYSIS BY MOLECULAR PROPELLER EFFECT CHACHISVILIS MIRIANAS (US) 2017-01-05 WO disclosed
EP-2304425-A1 SEPARATION AND MANIPULATION OF A CHIRAL OBJECT Dynamic Connections, Llc (US) 2011-04-06 EP disclosed
WO-2009155406-A1 SEPARATION AND MANIPULATION OF A CHIRAL OBJECT DYNAMIC CONNECTIONS, LLC (US) 2009-12-23 WO disclosed
EP-2134697-A2 SEPARATION AND MANIPULATION OF A CHIRAL OBJECT Dynamic Connections, Llc (US) 2009-12-23 EP disclosed
WO-2008130980-A2 SEPARATION AND MANIPULATION OF A CHIRAL OBJECT DYNAMIC CONNECTIONS, LLC (US) 2008-10-30 WO disclosed