SCHEMBL9358632

SCHEMBL9358632

CN1C(C)(C)CC(OC(=O)C2CCC(C(=O)OC3CC(C)(C)N(C)C(C)(C)C3CC3CCCCC3)CC2)C(CC2CCCCC2)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9358519 0.92 CHRM2 (0.34) CHRM2CHRM4CHRM1CHRM3
SCHEMBL9358594 0.83 NAAA (0.40)
SCHEMBL9358656 0.79 NAAA (0.48)
SCHEMBL8374438 0.78
SCHEMBL9358318 0.76 CHRM2 (0.37) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL9358658 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9358184 0.69 CHRM2 (0.34) CHRM2CHRM4CHRM1CHRM3
SCHEMBL8374770 0.66
SCHEMBL21908288 0.64 CYP3A4 (0.34) ALDH1A1
SCHEMBL21163312 0.64 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518197-B1 Piperidine derivatives MITSUBISHI PETROCHEMICAL CO (JP) 1994-12-21 EP disclosed
US-5260443-A For polyolefin films MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1993-11-09 US disclosed
US-5189172-A Useful as photostabilizer or as intermediates for pharmaceuticals and agricultural chemicals MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1993-02-23 US disclosed
EP-0518197-A1 Piperidine derivatives Mitsubishi Chemical Corporation (JP) 1992-12-16 EP disclosed