SCHEMBL3814692

SCHEMBL3814692

Cc1cccc(OCOCCCBr)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL223298 0.88 DRD2 (0.58) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL30674602 0.88 DRD2 (0.58) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL1171694 0.83 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL4743318 0.81 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL15922784 0.81 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL1772856 0.81 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL9020787 0.81 ALDH1A1 (0.56) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL13645864 0.80 DRD2 (0.50) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL3160942 0.79 DRD2 (0.56) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL10511421 0.78 ACHE (0.60) DRD2DRD4DRD3L3MBTL1KDM4E

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-1730148-A4 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LAB (US) 2009-08-19 EP disclosed
EP-1730148-A2 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2006-12-13 EP disclosed
WO-2005074603-A2 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-08-18 WO disclosed