SCHEMBL6589606

SCHEMBL6589606

O=C(NC1CCN(CCC#CC2CC=CCC2)CC1)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 20/20 0.60
CHRM1 P11229 20/20 0.60
CHRM3 P20309 20/20 0.60

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
SCHEMBL6589868 0.82 CHRM2 (0.69) CHRM2CHRM1CHRM3
SCHEMBL8551717 0.81 CHRM2 (0.79) CHRM2CHRM1CHRM3
SCHEMBL6592141 0.80 CHRM2 (0.88) CHRM2CHRM1CHRM3
SCHEMBL6589800 0.80 CHRM2 (0.66) CHRM2CHRM1CHRM3
SCHEMBL6592586 0.80 CHRM2 (0.66) CHRM2CHRM1CHRM3
SCHEMBL6589796 0.80 CHRM2 (0.66) CHRM2CHRM1CHRM3
SCHEMBL6589807 0.79 CHRM2 (0.64) CHRM2CHRM1CHRM3
SCHEMBL6588874 0.79 CHRM2 (0.81) CHRM2CHRM1CHRM3
SCHEMBL6590342 0.79 CHRM2 (0.81) CHRM2CHRM1CHRM3
SCHEMBL6587984 0.76 CHRM2 (0.71) CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
CN-1188471-A 1,4-disubstituted piepridine derivatives BANYU PHARMA CO LTD (JP) 1998-07-22 CN disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed