SCHEMBL8550212

SCHEMBL8550212

COc1ccc2c(c1)CCN(CCCc1ccccc1)C2=O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.55
DRD2 P14416 5/20 0.55
DRD4 P21917 3/20 0.55
GRM5 P41594 3/20 0.55
DRD1 P21728 1/20 0.54
SIGMAR1 Q99720 3/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2B Q13224 1/20 0.53
PARK7 Q99497 1/20 0.50
CYP24A1 Q07973 1/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48

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
SCHEMBL8547905 0.88 ADAM17 (0.53) DRD3DRD2DRD4SIGMAR1HTR2A
SCHEMBL4502402 0.85 GRM5 (0.62) DRD3DRD2DRD4GRM5DRD1
SCHEMBL29438690 0.85 GRM5 (0.62) DRD3DRD2DRD4GRM5DRD1
SCHEMBL8545172 0.85 AOC3 (0.54) GRM5
SCHEMBL8549552 0.85 AOC3 (0.54) GRM5
SCHEMBL8549557 0.85 GRM5 (0.49) GRM5
SCHEMBL8548927 0.84 ITGB3 (0.53) GRM5
SCHEMBL380250 0.83 DRD3 (0.53) DRD3DRD2DRD4GRM5DRD1
SCHEMBL3693926 0.83 DRD3 (0.56) DRD3DRD2DRD4GRM5DRD1
SCHEMBL8547139 0.83 MAOA (0.53) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526402-B1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA GEIGY AG (CH) 1998-01-21 EP disclosed
US-5350761-A Lipoxygenase inhibitors as antiinflammatory agents and antiallergens CIBA-GEIGY CORPORATION (US) 1994-09-27 US disclosed
US-5334600-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1994-08-02 US disclosed
US-5260316-A Lipoxygenase inhibitor CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed
EP-0526402-A1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA-GEIGY AG (CH) 1993-02-03 EP disclosed