SCHEMBL4620926

SCHEMBL4620926

O=C(OCC1C2CN(CCc3ccccc3)CC12)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.57
HTT P42858 1/20 0.55
POLB P06746 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
HRH1 P35367 1/20 0.49
KCNH2 Q12809 1/20 0.49
SLC29A1 Q99808 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49

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
SCHEMBL4619067 0.83 CHRM2 (0.58) CHRM3HTTPOLBCHRM2CHRM1
SCHEMBL4878826 0.82 CHRM3 (0.57) CHRM3CHRM2CHRM1
SCHEMBL4620147 0.81 ALDH1A1 (0.51) CHRM3HTTPOLBCHRM2CHRM1
SCHEMBL5106067 0.81 CHRM3 (0.53) CHRM3HTTPOLBCHRM2CHRM1
SCHEMBL3222150 0.80 HTT (0.53) CHRM3HTTPOLBCHRM2CHRM1
SCHEMBL4878755 0.80 CHRM3 (0.58) CHRM3CHRM2CHRM1
SCHEMBL3214986 0.80 HTT (0.53) CHRM3HTTPOLBCHRM2CHRM1
SCHEMBL5246422 0.79 HTT (0.69) CHRM3HTTPOLBCHRM2CHRM1
SCHEMBL5250142 0.79 HTT (0.69) CHRM3HTTPOLBCHRM2CHRM1
SCHEMBL4179648 0.79 CHRM3 (0.53) CHRM3HTTPOLBCHRM2CHRM1

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-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP disclosed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed