SCHEMBL6022152

SCHEMBL6022152

CCCCCCCCCCCCNC(=O)c1cc(Br)c(CNCc2cccc(-c3ccc(F)cc3)c2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
NAAA Q02083 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
ASAH1 Q13510 1/20 0.41
MLYCD O95822 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM1A O60341 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1854176 0.84 NAAA (0.40) DRD2DRD4DRD3NAAAASAH1
SCHEMBL5043673 0.83 ALDH1A1 (0.50) NAAACYP1A2CYP2D6CYP2C19MLYCD
SCHEMBL5045263 0.80 MAPK14 (0.48) NAAACYP1A2CYP2D6CYP2C19MLYCD
SCHEMBL5048336 0.80 NAAA (0.41) DRD2DRD4DRD3NAAAASAH1
SCHEMBL6022200 0.77 DRD2 (0.49) DRD2DRD4DRD3NAAAASAH1
SCHEMBL5039489 0.77 MLYCD (0.50) NAAAMLYCDSMN1; SMN2BCHEACHE
SCHEMBL5047987 0.76 PTGS2 (0.41) DRD2DRD4DRD3NAAAASAH1
SCHEMBL4325004 0.75 AKR1C4 (0.40) LMNAHPGD
SCHEMBL1853343 0.75 TMEM97 (0.50) DRD2DRD4DRD3NAAAMLYCD
SCHEMBL1855176 0.73 NAAA (0.68) NAAAMLYCDSMN1; SMN2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO disclosed