SCHEMBL4003607

SCHEMBL4003607

COc1cccc(C(CCC=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.48
OPRL1 P41146 12/20 0.48
OPRD1 P41143 11/20 0.48
OPRK1 P41145 11/20 0.48
CCR1 P32246 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL23883211 0.79 DRD2 (0.55) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL5820396 0.79 DRD2 (0.55) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL3995719 0.78 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL5323013 0.77 DRD2 (0.43) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL667229 0.71 CCR3 (0.68) OPRL1DRD2DRD3MEN1ALDH1A1
SCHEMBL5321289 0.69 KDM4E (0.48) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL6185872 0.69 OPRM1 (0.62) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL664827 0.68 CCR3 (0.58) OPRL1DRD2DRD3MEN1ALDH1A1
SCHEMBL3139402 0.67 DRD2 (0.73) OPRM1DRD2DRD3MEN1TSHR
SCHEMBL8985999 0.67 OPRL1 (0.55) OPRM1OPRL1OPRD1OPRK1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874730-A4 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC (CA) 2009-06-10 EP claimed
EP-1874730-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES Clera Inc. (CA) 2008-01-09 EP claimed
WO-2006116848-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC. (CA) 2006-11-09 WO claimed
EP-1874730-A4 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC (CA) 2009-06-10 EP disclosed
EP-1874730-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES Clera Inc. (CA) 2008-01-09 EP disclosed
WO-2006116848-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC. (CA) 2006-11-09 WO disclosed