SCHEMBL4740203

SCHEMBL4740203

CN1CCC(OC(=O)C(C)(c2ccccc2)N2CCC(F)(F)CC2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.77
CHRM1 P11229 2/20 0.53
MLNR O43193 1/20 0.53
CHRM2 P08172 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HRH1 P35367 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
OPRK1 P41145 1/20 0.53
HTR2B P41595 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
CACNA1C Q13936 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM4 P08173 1/20 0.46
CHRM5 P08912 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
SCHEMBL4735652 0.87 CHRM3 (1.00) CHRM3CHRM1MLNRCHRM2HTR2A
SCHEMBL14162123 0.87 CHRM3 (1.00) CHRM3CHRM2
SCHEMBL4737564 0.86 CHRM3 (0.97) CHRM3CHRM1MLNRCHRM2HTR2A
SCHEMBL4735223 0.86 CHRM3 (0.97) CHRM3CHRM1MLNRCHRM2HTR2A
Iodide SCHEMBL4739411 0.86 CHRM3 (0.98) CHRM3CHRM2
SCHEMBL4736198 0.85 CHRM3 (0.82) CHRM3CHRM1MLNRCHRM2HTR2A
SCHEMBL4738320 0.84 CHRM3 (0.80) CHRM3CHRM1MLNRCHRM2HTR2A
SCHEMBL4847372 0.80 CHRM3 (0.64) CHRM3OPRM1
SCHEMBL7649703 0.78 CHRM3 (0.74) CHRM3CHRM1MLNRCHRM2HTR2A
SCHEMBL6405144 0.76 ALDH1A1 (0.61) CHRM3CHRM1CHRM2ALDH1A1CYP1A2

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
WO-2008075006-A1 PIPERLDINUM COMPOUNDS FOR TREATMENT OF OBSTRUCTIVE PULMONARY DISEASES ( COPD) ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008075006-A1 PIPERLDINUM COMPOUNDS FOR TREATMENT OF OBSTRUCTIVE PULMONARY DISEASES ( COPD) ASTRAZENECA AB (SE) 2008-06-26 WO disclosed