SCHEMBL4773480

SCHEMBL4773480

CCCCNCCC(O)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
ADRB3 P13945 8/20 0.43
ADRB1 P08588 4/20 0.43
ADRB2 P07550 1/20 0.43
SLC2A1 P11166 1/20 0.42
CHRM2 P08172 1/20 0.42
EPHX2 P34913 1/20 0.42
LMNA P02545 1/20 0.41
EPHX1 P07099 3/20 0.40

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
Hydrochloric Acid SCHEMBL4716146 0.99 KMT2A (0.51) KMT2AADRB3ADRB1ADRB2SLC2A1
SCHEMBL19329740 0.87 ADRB3 (0.53) ADRB3ADRB1ADRB2LMNA
SCHEMBL7906262 0.86 OPRM1 (0.49) ADRB3ADRB1ADRB2SLC2A1EPHX2
SCHEMBL9191899 0.82 ALDH1A1 (0.55) LMNA
SCHEMBL13849930 0.81 ADRB1 (0.48) ADRB3ADRB1ADRB2SLC2A1LMNA
SCHEMBL6690481 0.81 ADRB1 (0.48) ADRB3ADRB1ADRB2SLC2A1LMNA
SCHEMBL13849942 0.81 ADRB1 (0.48) ADRB3ADRB1ADRB2SLC2A1LMNA
SCHEMBL14402491 0.81 ADRB1 (0.48) ADRB3ADRB1ADRB2SLC2A1LMNA
SCHEMBL24302767 0.80 SLC6A4 (0.54) ADRB3ADRB1ADRB2SLC2A1LMNA
SCHEMBL5848672 0.78 ADRB3 (0.55) ADRB3ADRB1ADRB2SLC2A1LMNA

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-1993524-A1 THE USE OF BUPROPION METABOLITES FOR THE TREATMENT OF INFLAMMATORY DISORDERS Sosei R&D Ltd. (GB) 2008-11-26 EP disclosed
WO-2007102019-A1 THE USE OF BUPROPION METABOLITES FOR THE TREATMENT OF INFLAMMATORY DISORDERS SOSEI R & D LTD. (GB) 2007-09-13 WO disclosed