SCHEMBL6937896

SCHEMBL6937896

Cc1ccc(O)c(C(CCN(C(C)C)C(C)C)c2cccs2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
CHRM3 P20309 3/20 0.67
CHRM2 P08172 2/20 0.67
CHRM5 P08912 2/20 0.67
CHRM1 P11229 2/20 0.67
HRH1 P35367 2/20 0.67
LMNA P02545 2/20 0.67
ESR1 P03372 1/20 0.67
CHRM4 P08173 1/20 0.67
KCNE1 P15382 1/20 0.67
PTGS1 P23219 1/20 0.67
HRH2 P25021 1/20 0.67
HTR2A P28223 1/20 0.67
SLC6A4 P31645 1/20 0.67
ADRA1A P35348 1/20 0.67
OPRK1 P41145 1/20 0.67
KCNQ1 P51787 1/20 0.67
KCNH2 Q12809 1/20 0.67
CACNA1C Q13936 1/20 0.67
SCN5A Q14524 1/20 0.67

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
SCHEMBL6938819 1.00 MAPT (0.67) MAPTCHRM3CHRM2CHRM5CHRM1
SCHEMBL6934321 1.00 MAPT (0.67) MAPTCHRM3CHRM2CHRM5CHRM1
Hydrochloric Acid SCHEMBL6940158 0.99 CHRM3 (0.66) MAPTCHRM3CHRM2CHRM5CHRM1
SCHEMBL6937275 0.85 CHRM2 (0.49) MAPTCHRM3CHRM2CHRM5CHRM1
SCHEMBL4662568 0.84 CHRM1 (0.81) MAPTCHRM3CHRM2CHRM5CHRM1
SCHEMBL6937452 0.81 CHRM2 (0.43) MAPTCHRM3CHRM2CHRM5CHRM1
Tolterodine SCHEMBL36882 0.81 CHRM3 (1.00) MAPTCHRM3CHRM2CHRM5CHRM1
SCHEMBL9223163 0.81 CHRM3 (0.80) MAPTCHRM3CHRM2CHRM5CHRM1
Tolterodine SCHEMBL29635996 0.81 CHRM3 (1.00) MAPTCHRM3CHRM2CHRM5CHRM1
Tolterodine SCHEMBL580446 0.81 CHRM3 (1.00) MAPTCHRM3CHRM2CHRM5CHRM1

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-1019358-B1 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PHARMACIA AB (SE) 2003-05-07 EP claimed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US claimed
EP-1019358-B1 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PHARMACIA AB (SE) 2003-05-07 EP disclosed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US disclosed