SCHEMBL6474429

SCHEMBL6474429

CC(C)CC(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.79
CHRM1 P11229 3/20 0.79
CHRM3 P20309 10/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
CHRM5 P08912 2/20 0.46
HRH1 P35367 2/20 0.46
ESR1 P03372 1/20 0.46
CHRM4 P08173 1/20 0.46
KCNE1 P15382 1/20 0.46
PTGS1 P23219 1/20 0.46
HRH2 P25021 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
KCNQ1 P51787 1/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1C Q13936 1/20 0.46
SCN5A Q14524 1/20 0.46

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
SCHEMBL8428930 0.91 CHRM2 (0.82) CHRM2CHRM1CHRM3MAPTLMNA
SCHEMBL7555814 0.91 CHRM2 (0.82) CHRM2CHRM1CHRM3MAPTLMNA
SCHEMBL3691757 0.91 CHRM2 (0.85) CHRM2CHRM1CHRM3MAPTLMNA
SCHEMBL3686607 0.90 CHRM2 (0.80) CHRM2CHRM1CHRM3MAPTLMNA
SCHEMBL16174328 0.90 CHRM2 (0.80) CHRM2CHRM1CHRM3MAPTLMNA
SCHEMBL2166550 0.89 CHRM2 (0.79) CHRM2CHRM1CHRM3MAPTLMNA
SCHEMBL2167077 0.89 CHRM2 (0.79) CHRM2CHRM1CHRM3MAPTLMNA
SCHEMBL2168704 0.88 CHRM2 (0.77) CHRM2CHRM1CHRM3MAPTLMNA
SCHEMBL5090344 0.88 CHRM2 (0.77) CHRM2CHRM1CHRM3MAPTLMNA
SCHEMBL2168552 0.88 CHRM2 (0.80) CHRM2CHRM1CHRM3MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858650-B1 For therapy of urinary incontinence SCHWARZ PHARMA AG (DE) 2005-02-22 US disclosed