SCHEMBL7649703

SCHEMBL7649703

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.74
CHRM1 P11229 5/20 0.64
CHRM2 P08172 4/20 0.64
MLNR O43193 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
HRH1 P35367 1/20 0.64
OPRM1 P35372 1/20 0.64
DRD3 P35462 1/20 0.64
OPRK1 P41145 1/20 0.64
HTR2B P41595 1/20 0.64
SLC6A3 Q01959 1/20 0.64
KCNH2 Q12809 1/20 0.64
CACNA1C Q13936 1/20 0.64
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CHRM4 P08173 4/20 0.57
CHRM5 P08912 4/20 0.57
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL27661811 0.88 CHRM3 (0.58) CHRM3CHRM1CHRM2CHRM4CHRM5
SCHEMBL1088155 0.85 CHRM3 (1.00) CHRM3CHRM1CHRM2MLNRHTR2A
SCHEMBL10518474 0.85 CHRM3 (0.54) CHRM3CHRM1CHRM2MLNRHTR2A
SCHEMBL4243782 0.85 CHRM3 (0.69) CHRM3CHRM1CHRM2MLNRHTR2A
SCHEMBL27550848 0.83 CHRM3 (0.73) CHRM3CHRM1CHRM2MLNRHTR2A
Hydrochloric Acid SCHEMBL27826728 0.83 CHRM3 (0.71) CHRM3CHRM1CHRM2MLNRHTR2A
SCHEMBL4735652 0.82 CHRM3 (1.00) CHRM3CHRM1CHRM2MLNRHTR2A
SCHEMBL13701451 0.82 CHRM3 (0.70) CHRM3CHRM1CHRM2MLNRHTR2A
SCHEMBL4245281 0.82 CHRM3 (0.66) CHRM3CHRM1CHRM2MLNRHTR2A
SCHEMBL13701453 0.82 CHRM3 (0.70) CHRM3CHRM1CHRM2MLNRHTR2A

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-6482837-B1 Antimuscarinic compounds and methods for treatment of bladder diseases UNIVERSITY OF ROCHESTER 2002-11-19 US disclosed