SCHEMBL4737564

SCHEMBL4737564

CN1CCC(OC(=O)C(C)(c2ccccc2)N2CCCCCC2)CC1

nearest known ligand 0.97

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 0.97
MLNR O43193 1/20 0.57
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HRH1 P35367 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57
OPRK1 P41145 1/20 0.57
HTR2B P41595 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KCNH2 Q12809 1/20 0.57
CACNA1C Q13936 1/20 0.57
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL4735223 1.00 CHRM3 (0.97) CHRM3MLNRCHRM2CHRM1HTR2A
SCHEMBL4735652 0.99 CHRM3 (1.00) CHRM3MLNRCHRM2CHRM1HTR2A
SCHEMBL4736198 0.89 CHRM3 (0.82) CHRM3MLNRCHRM2CHRM1HTR2A
SCHEMBL4738320 0.88 CHRM3 (0.80) CHRM3MLNRCHRM2CHRM1HTR2A
SCHEMBL4736316 0.88 CHRM3 (0.76) CHRM3MLNRCHRM2CHRM1HTR2A
SCHEMBL4740203 0.86 CHRM3 (0.77) CHRM3MLNRCHRM2CHRM1HTR2A
SCHEMBL14162201 0.85 CHRM3 (1.00) CHRM3
SCHEMBL14162443 0.85 CHRM3 (1.00) CHRM3
SCHEMBL14162469 0.85 CHRM3 (1.00) CHRM3
Iodide SCHEMBL4784707 0.84 CHRM3 (0.98) CHRM3

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