SCHEMBL10695453

SCHEMBL10695453

CC([C]=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
OPRM1 P35372 4/20 0.47
DRD2 P14416 1/20 0.46
SLC18A3 Q16572 4/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
CCR5 P51681 1/20 0.43
GRIN2B Q13224 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PRCP P42785 1/20 0.42

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
SCHEMBL2603282 0.80 HRH3 (0.69) KCNH2HRH3OPRM1DRD2SLC18A3
SCHEMBL1991909 0.79 KCNH2 (0.44) KCNH2HRH3OPRM1DRD2SLC18A3
SCHEMBL24291907 0.77 KCNH2 (0.53) KCNH2HRH3OPRM1DRD2SLC18A3
SCHEMBL20419215 0.77 KCNH2 (0.53) KCNH2HRH3OPRM1DRD2SLC18A3
SCHEMBL2661616 0.77 KCNH2 (0.56) KCNH2HRH3OPRM1DRD2SLC18A3
SCHEMBL10694280 0.77 HTT (0.43) KCNH2HRH3OPRM1SLC18A3CCR5
SCHEMBL27498941 0.77 KCNH2 (0.60) KCNH2HRH3OPRM1DRD2SLC18A3
SCHEMBL27498942 0.77 KCNH2 (0.52) KCNH2HRH3OPRM1DRD2SLC18A3
SCHEMBL13558661 0.75 OPRM1 (0.58) KCNH2HRH3OPRM1DRD2SLC18A3
SCHEMBL13225753 0.75 KCNH2 (0.50) KCNH2HRH3OPRM1DRD2SLC18A3

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-0252482-A2 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-13 EP disclosed