SCHEMBL6816262

SCHEMBL6816262

CCOC(=O)N1CCC(O)(c2ccccc2CO)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
OPRL1 P41146 1/20 0.52
APP P05067 6/20 0.51
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 2/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45

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
SCHEMBL5824190 0.90 L3MBTL1 (0.57) L3MBTL1APPKMT2AALDH1A1KDM4E
SCHEMBL14107981 0.88 L3MBTL1 (0.59) L3MBTL1APPKMT2AALDH1A1KDM4E
SCHEMBL4668387 0.88 L3MBTL1 (0.55) L3MBTL1APPKMT2AALDH1A1KDM4E
SCHEMBL4863815 0.83 L3MBTL1 (0.53) L3MBTL1APPKMT2AALDH1A1KDM4E
SCHEMBL9310449 0.83 L3MBTL1 (0.59) L3MBTL1OPRD1OPRK1APPKMT2A
SCHEMBL9528495 0.82 APP (0.66) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4866314 0.81 L3MBTL1 (0.51) L3MBTL1APPKMT2AALDH1A1KDM4E
SCHEMBL9312413 0.80 L3MBTL1 (0.65) L3MBTL1APPALDH1A1KDM4EGAA
SCHEMBL4981287 0.80 L3MBTL1 (0.57) L3MBTL1OPRD1OPRK1APPKMT2A
SCHEMBL7570603 0.79 L3MBTL1 (0.56) L3MBTL1OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004026855-A1 METHOD FOR MANUFACTURE OF DIHYDROISOBENZOFURAN DERIVATIVES H. LUNDBECK A/S (DK) 2004-04-01 WO disclosed