SCHEMBL9529302

SCHEMBL9529302

COc1ccccc1C1(O)CCN(CCC2OCCO2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.61
SLC6A12 P48065 2/20 0.61
SLC6A11 P48066 2/20 0.61
SLC6A13 Q9NSD5 1/20 0.61
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
SIGMAR1 Q99720 2/20 0.49
CHRM4 P08173 2/20 0.46
POLB P06746 2/20 0.45
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CCR8 P51685 1/20 0.41
DRD2 P14416 2/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL9529336 0.78 OPRL1 (0.57) OPRM1OPRL1SIGMAR1POLBDRD2
SCHEMBL31028225 0.78 SLC6A1 (0.61) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
SCHEMBL4293184 0.76 SLC6A1 (1.00) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
SCHEMBL29462287 0.76 SLC6A1 (1.00) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
SCHEMBL31028218 0.76 CHRM4 (0.64) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
SCHEMBL2970071 0.76 CHRM4 (0.64) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
Hydrochloric Acid SCHEMBL30286393 0.75 SLC6A1 (0.98) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
Hydrochloric Acid SCHEMBL8178596 0.75 SLC6A1 (0.98) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
SCHEMBL5592141 0.74 SLC6A1 (0.65) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
SCHEMBL9053004 0.73 DRD2 (0.67) SLC6A1SLC6A12SLC6A11SLC6A13SIGMAR1

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