SCHEMBL9302891

SCHEMBL9302891

BrCc1cccc(OCc2ccccc2)c1CBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
DRD2 P14416 2/20 0.54
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 1/20 0.53
ABCB1 P08183 3/20 0.50
GAA P10253 2/20 0.46
FOLH1 Q04609 1/20 0.46
LIPE Q05469 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
LTA4H P09960 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
SCHEMBL561222 0.85 HTR1A (0.67) HTR1ADRD2MAPTTDP1L3MBTL1
SCHEMBL13986127 0.81 HTR1A (0.53) HTR1ADRD2MAPTTDP1L3MBTL1
SCHEMBL694179 0.81 MAPT (0.51) HTR1ADRD2MAPTTDP1L3MBTL1
SCHEMBL25173265 0.79 ABCB1 (0.57) HTR1ADRD2MAPTTDP1L3MBTL1
SCHEMBL9302604 0.76 HTR1A (0.54) HTR1ADRD2MAPTTDP1L3MBTL1
SCHEMBL9802381 0.76 BCHE (0.68) L3MBTL1KDM4EBCHE
SCHEMBL6339163 0.75 HPD (0.46) HTR1ADRD2MAPTTDP1L3MBTL1
SCHEMBL23881745 0.75 HTR1A (0.73) HTR1ADRD2MAPTTDP1L3MBTL1
SCHEMBL339812 0.74 MAPT (0.71) HTR1ADRD2MAPTTDP1L3MBTL1
SCHEMBL11727555 0.74 MEN1 (0.56) HTR1AMAPTTDP1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5310750-A Heterocyclic compounds useful as α2 -adrenoceptor antagonists BEECHAM GROUP P.L.C. (GB) 1994-05-10 US disclosed
EP-0313288-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ALPHA 2-ADRENO-RECEPTOR ANTAGONISTS BEECHAM GROUP PLC (GB) 1992-12-30 EP disclosed
US-5021445-A Hyperglycemic and hypertensive agents; anticoagulants, alpha2-adrenoceptor antagonists BEECHAM GROUP P.L.C. (GB) 1991-06-04 US disclosed
EP-0313288-A1 Imidazole derivatives, process for their preparation and their use as alpha 2-adreno-receptor antagonists BEECHAM GROUP PLC (GB) 1989-04-26 EP disclosed