SCHEMBL8792045

SCHEMBL8792045

COC(=O)c1ccccc1-c1ccc(C(C)Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.66
SLC6A4 P31645 3/20 0.63
SLC6A2 P23975 1/20 0.56
ROCK2 O75116 1/20 0.47
CSF1R P07333 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK5 Q00535 1/20 0.47
ROCK1 Q13464 1/20 0.47
SLK Q9H2G2 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
BDKRB1 P46663 3/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
BRS3 P32247 1/20 0.45
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL12606476 0.89 SLC6A3 (0.68) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL29978969 0.88 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL6797969 0.88 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL27641566 0.85 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2BDKRB1KDM4E
SCHEMBL14855856 0.84 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2BDKRB1BRS3
SCHEMBL23354048 0.83 SLC6A3 (0.69) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL29979249 0.83 SLC6A3 (0.69) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL8855194 0.81 SLC6A3 (0.62) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL9125043 0.81 SLC6A3 (0.97) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL31318316 0.80 SLC6A3 (0.78) SLC6A3SLC6A4SLC6A2ROCK2CSF1R

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-0324377-B1 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids DU PONT (US) 1997-04-16 EP disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed