SCHEMBL7783320

SCHEMBL7783320

N[C@H]1CCc2cc(O)c(O)cc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 1.00
NFKB1 P19838 1/20 1.00
THPO P40225 1/20 1.00
HIF1A Q16665 1/20 1.00
HSD17B10 Q99714 1/20 1.00
USP2 O75604 1/20 1.00
ALDH1A1 P00352 1/20 1.00
KDM4E B2RXH2 1/20 0.96
FYN P06241 2/20 0.71
DRD2 P14416 4/20 0.63
DRD3 P35462 3/20 0.63
OPRK1 P41145 1/20 0.63
DRD1 P21728 1/20 0.53
PLAU P00749 1/20 0.52

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
SCHEMBL7395494 1.00 MAPT (1.00) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL3126243 1.00 MAPT (1.00) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL29602850 1.00 MAPT (1.00) MAPTNFKB1THPOHIF1AHSD17B10
Hydrochloric Acid SCHEMBL7922003 0.98 MAPT (0.96) MAPTNFKB1THPOHIF1AHSD17B10
Bromide SCHEMBL7364104 0.98 MAPT (1.00) MAPTNFKB1THPOHIF1AHSD17B10
Bromide SCHEMBL3763048 0.98 MAPT (1.00) MAPTNFKB1THPOHIF1AHSD17B10
Hydrochloric Acid SCHEMBL7922007 0.98 MAPT (0.96) MAPTNFKB1THPOHIF1AHSD17B10
Bromide SCHEMBL29634886 0.98 MAPT (1.00) MAPTNFKB1THPOHIF1AHSD17B10
Hydrochloric Acid SCHEMBL11042661 0.87 MAPT (0.76) MAPTNFKB1THPOHIF1AHSD17B10
Hydrochloric Acid SCHEMBL11046771 0.87 MAPT (0.76) MAPTNFKB1THPOHIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017377-B1 USE OF 6, 7-SUBSTITUTED 2-AMINOTETRALINES FOR THE TREATMENT OF CYTOKINE MEDIATED INFLAMMATORY CONDITIONS SIGMA TAU IND BR FARMACEUTICHE (IT) 2001-12-05 EP claimed
JP-2001517618-A 2001-10-09 JP claimed
EP-1017377-A2 USE OF 6, 7-SUBSTITUTED 2-AMINOTETRALINES FOR THE TREATMENT OF CYTOKINE MEDIATED INFLAMMATORY CONDITIONS Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2000-07-12 EP claimed
WO-1999015160-A2 USE OF 6,7-SUBSTITUTED 2-AMINOTETRALINES SUITABLE FOR PREPARING PHARMACEUTICAL COMPOSITION FOR THE THERAPEUTIC TREATMENT OF INFLAMMATORY AND/OR AUTOIMMUNE PATHOLOGIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1999-04-01 WO claimed