SCHEMBL6589522

SCHEMBL6589522

O=C(NC1CCNCC1)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 16/20 0.69
CHRM1 P11229 16/20 0.69
CHRM3 P20309 16/20 0.69
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57

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
SCHEMBL13592145 1.00 CHRM2 (0.69) CHRM2CHRM1CHRM3KEAP1NFE2L2
SCHEMBL13592129 0.99 CHRM2 (0.67) CHRM2CHRM1CHRM3KEAP1NFE2L2
Hydrochloric Acid SCHEMBL6588535 0.96 CHRM2 (0.67) CHRM2CHRM1CHRM3KEAP1NFE2L2
SCHEMBL5119960 0.92 CHRM2 (0.60) CHRM2CHRM1CHRM3KEAP1NFE2L2
SCHEMBL7471610 0.82 CHRM2 (1.00) CHRM2CHRM1CHRM3
SCHEMBL17294627 0.81 CHRM2 (0.58) CHRM2CHRM1CHRM3
SCHEMBL5948024 0.81 KEAP1 (0.57) CHRM2CHRM1CHRM3KEAP1NFE2L2
SCHEMBL4076565 0.81 KEAP1 (0.57) CHRM2CHRM1CHRM3KEAP1NFE2L2
SCHEMBL5948427 0.80 KEAP1 (0.56) CHRM2CHRM1CHRM3KEAP1NFE2L2
SCHEMBL5948317 0.80 KEAP1 (0.56) CHRM2CHRM1CHRM3KEAP1NFE2L2

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 12 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
EP-0930298-B1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-12-18 EP disclosed
EP-0863141-B1 SUBSTITUTED HETEROAROMATIC DERIVATIVES BANYU PHARMA CO LTD (JP) 2001-09-12 EP disclosed
US-6130232-A Substituted piperidine derivatives as muscarinic M3 receptor antagonists BANYU PHARMACEUTICAL COALTD (JP) 2000-10-10 US disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
CN-1226888-A Fluorinated 1,4-disubstituted piperidine derivatives BANYU PHARMA CO LTD (JP) 1999-08-25 CN disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP disclosed
EP-0863141-A1 SUBSTITUTED HETEROAROMATIC DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-09-09 EP disclosed
CN-1188471-A 1,4-disubstituted piepridine derivatives BANYU PHARMA CO LTD (JP) 1998-07-22 CN disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed