SCHEMBL9034841

SCHEMBL9034841

O=CCC(Br)Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.50
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
HSD17B10 Q99714 1/20 0.35
IDO1 P14902 1/20 0.35
MME P08473 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ACACB O00763 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL19003879 0.81 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL10051066 0.81 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL10051069 0.81 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL9864149 0.77 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL6683952 0.74 SLC6A3 (0.52) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL9481327 0.72 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL27669076 0.72 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL6465120 0.72 MME (0.49) SLC6A4PPARGPPARAHSD17B10MME
SCHEMBL28615059 0.72 MEN1 (0.44) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL25335313 0.70 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3PPARGPPARA

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-0719264-A1 IMIDAZOLONE AND OXAZOLONE DERIVATIVES AS DOPAMINE ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1996-07-03 EP disclosed
WO-1995007904-A1 IMIDAZOLONE AND OXAZOLONE DERIVATIVES AS DOPAMINE ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-03-23 WO disclosed