SCHEMBL5198626

SCHEMBL5198626

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.70
CHRM2 P08172 3/20 0.70
CHRM1 P11229 3/20 0.70
CHRM5 P08912 2/20 0.70
HRH1 P35367 2/20 0.70
LMNA P02545 1/20 0.70
ESR1 P03372 1/20 0.70
CHRM4 P08173 1/20 0.70
MAPT P10636 1/20 0.70
KCNE1 P15382 1/20 0.70
PTGS1 P23219 1/20 0.70
HRH2 P25021 1/20 0.70
HTR2A P28223 1/20 0.70
SLC6A4 P31645 1/20 0.70
ADRA1A P35348 1/20 0.70
OPRK1 P41145 1/20 0.70
KCNQ1 P51787 1/20 0.70
KCNH2 Q12809 1/20 0.70
CACNA1C Q13936 1/20 0.70
SCN5A Q14524 1/20 0.70

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
Desfesoterodine SCHEMBL816124 0.88 CHRM3 (0.72) CHRM3CHRM2CHRM1CHRM5HRH1
SCHEMBL16341546 0.88 CHRM3 (0.72) CHRM3CHRM2CHRM1CHRM5HRH1
Desfesoterodine SCHEMBL580657 0.88 CHRM3 (0.72) CHRM3CHRM2CHRM1CHRM5HRH1
Desfesoterodine SCHEMBL29468683 0.88 CHRM3 (0.72) CHRM3CHRM2CHRM1CHRM5HRH1
SCHEMBL6008953 0.88 CHRM3 (0.72) CHRM3CHRM2CHRM1CHRM5HRH1
Desfesoterodine SCHEMBL209062 0.88 CHRM3 (0.72) CHRM3CHRM2CHRM1CHRM5HRH1
Hydrochloric Acid SCHEMBL6939106 0.87 CHRM3 (0.70) CHRM3CHRM2CHRM1CHRM5HRH1
SCHEMBL16511679 0.87 CHRM3 (0.70) CHRM3CHRM2CHRM1CHRM5HRH1
SCHEMBL27468343 0.87 CHRM3 (0.70) CHRM3CHRM2CHRM1CHRM5HRH1
Hydrochloric Acid SCHEMBL6939095 0.87 CHRM3 (0.70) CHRM3CHRM2CHRM1CHRM5HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633695-A4 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2007-12-12 EP disclosed
EP-1633695-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS Bridge Pharma, Inc. (US) 2006-03-15 EP disclosed
WO-2005105036-A1 CONTROLLED RELEASE MUCOADHESIVE MATRIX FORMULATION CONTAINING TOLTERODINE AND A PROCESS FOR ITS PREPARATION NATCO PHARMA LIMITED (IN) 2005-11-10 WO disclosed
WO-2004105692-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA, INC. (US) 2004-12-09 WO disclosed