SCHEMBL8809772

SCHEMBL8809772

COc1cccc(C(OCN2CCC(O)C2)(c2ccccc2)c2ccccc2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.41
OPRM1 P35372 1/20 0.41
BCHE P06276 3/20 0.40
BACE1 P56817 3/20 0.40
ACHE P22303 2/20 0.40
SLC6A12 P48065 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A1 P30531 3/20 0.37
KDM4E B2RXH2 2/20 0.37
OPRD1 P41143 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
SLC6A11 P48066 1/20 0.36

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
SCHEMBL8346840 0.83 POLB (0.47) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8343053 0.80 BCHE (0.35) BCHEBACE1ACHESLC6A12SIGMAR1
SCHEMBL8346429 0.77 DRD3 (0.37) SLC6A12HTTMEN1KMT2AKDM4E
SCHEMBL8727530 0.77 MEN1 (0.43) MEN1KMT2AKDM4EPDCD1CD274
SCHEMBL8661019 0.73 LMNA (0.38) OPRM1BCHEBACE1ACHESLC6A12
SCHEMBL4344742 0.73 CHRM2 (0.34) BCHEBACE1ACHESLC6A12SIGMAR1
SCHEMBL8659952 0.72 ALDH1A1 (0.35) SLC6A12HTTMEN1KMT2ASLC6A1
SCHEMBL6855484 0.72 SLC6A2 (0.32) OPRK1
SCHEMBL8343429 0.72 CHRNB4 (0.41) OPRK1OPRM1BCHEBACE1ACHE
SCHEMBL8660379 0.72 SLC6A1 (0.34) OPRM1SLC6A12MEN1KMT2ASLC6A1

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-0739335-A4 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 1997-04-02 EP disclosed
EP-0739335-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
WO-1995018792-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO disclosed