SCHEMBL4945866

SCHEMBL4945866

CCCCN(CCCC)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CETP P11597 3/20 0.42
KCNH2 Q12809 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL10773335 0.93 KCNH2 (0.51) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL6267959 0.82 KCNH2 (0.39) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL5317698 0.79 TSHR (0.48) OPRM1DRD3KCNH2TSHRCYP3A4
SCHEMBL10822805 0.79 CETP (0.43) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL10822931 0.79 CETP (0.43) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL10822628 0.76 CETP (0.44) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL10823057 0.76 CETP (0.44) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL10823181 0.76 CETP (0.44) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL1703710 0.76 MAOA (0.42) OPRM1DRD3KCNH2L3MBTL1
SCHEMBL23616321 0.76 L3MBTL1 (0.49) CETPTSHRCYP3A4TDP1ALDH1A1

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-1390664-A4 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES UNIV ARIZONA (US) 2008-01-02 EP disclosed
EP-1390664-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES The Arizona Board of Regents (US) 2004-02-25 EP disclosed
WO-2002079691-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2002-10-10 WO disclosed