SCHEMBL9529248

SCHEMBL9529248

CCOC(CN1CCC(O)(c2ccc(OC)cc2)CC1)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
OPRD1 P41143 2/20 0.52
OPRK1 P41145 2/20 0.52
OPRL1 P41146 2/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SLC6A1 P30531 1/20 0.50
SLC6A12 P48065 1/20 0.50
SLC6A11 P48066 1/20 0.50
CCR1 P32246 3/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 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
SCHEMBL28103990 0.76 ALDH1A1 (0.57) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL8071002 0.76 ALDH1A1 (0.54) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL23384021 0.74 OPRM1 (0.67) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL9223529 0.74 MEN1 (0.55) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL1103890 0.74 OPRM1 (0.61) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL11814185 0.73 MAPT (0.67) ALDH1A1LMNAMEN1KMT2ACCR1
SCHEMBL9529108 0.73 APP (0.59) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL240629 0.73 OPRL1 (0.73) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL28299186 0.73 OPRM1 (0.58) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL9678362 0.72 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556342-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-08-25 EP disclosed
WO-1992007854-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET KV. (HU) 1992-05-14 WO disclosed