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SCHEMBL6589130

SCHEMBL6589130

CC(C)=CCCN1CCC(c2ccccc2C(O)(C(=O)O)C2CCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 10/20 0.58
▸ CHRM2 P08172 6/20 0.58
▸ CHRM1 P11229 6/20 0.58
▸ SLC18A3 Q16572 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ RBP4 P02753 2/20 0.39
▸ HTT P42858 1/20 0.37

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
SCHEMBL6589596 0.86 CHRM3 (0.42) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL6587443 0.82 OPRL1 (0.43) CHRM3CHRM2CHRM1SIGMAR1KEAP1
SCHEMBL17871674 0.76 ALDH1A1 (0.52) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL6589288 0.76 GPR119 (0.49) RBP4
SCHEMBL6589129 0.76 CHRM2 (0.66) CHRM3CHRM2CHRM1HTT
SCHEMBL6586888 0.76 CHRM2 (0.96) CHRM3CHRM2CHRM1
SCHEMBL6588733 0.76 CHRM2 (0.96) CHRM3CHRM2CHRM1
Bromomethane SCHEMBL19839345 0.74 ALDH1A1 (0.50) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL508757 0.73 CHRM2 (1.00) CHRM3CHRM2CHRM1
SCHEMBL508756 0.73 CHRM2 (1.00) CHRM3CHRM2CHRM1

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
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 — — EP claimed