SCHEMBL14304865

SCHEMBL14304865

CN1C2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC1[C@H]1OC21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.69
CHRM2 P08172 6/20 0.69
CHRM1 P11229 6/20 0.66
CHRM4 P08173 3/20 0.66
CHRM5 P08912 2/20 0.66
TSPO P30536 1/20 0.66
ADRA1A P35348 1/20 0.66
HRH1 P35367 1/20 0.66
OPRK1 P41145 1/20 0.66
KCNH2 Q12809 1/20 0.66
PDE3A Q14432 1/20 0.66
TMEM97 Q5BJF2 1/20 0.66
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
NFKB1 P19838 1/20 0.47
HIF1A Q16665 1/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL14839390 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL15616860 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL12877443 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL15186127 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL15926494 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL12880046 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL13841831 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14278853 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL9889327 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL440111 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1695701-B1 HFA suspension formulations comprising an anticholinergic agent BOEHRINGER INGELHEIM PHARMA (DE) 2015-01-07 EP disclosed
US-7321039-B2 Industrial process for preparing tropenol BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-01-22 US disclosed