SCHEMBL9302604

SCHEMBL9302604

OCc1cccc(OCc2ccccc2)c1CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
DRD2 P14416 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.49
FOLH1 Q04609 1/20 0.49
LIPE Q05469 1/20 0.49
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
ABCB1 P08183 3/20 0.46
BRD4 O60885 1/20 0.46

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
SCHEMBL3920602 0.89 MAPT (0.60) HTR1ADRD2L3MBTL1MAPTTDP1
SCHEMBL27679264 0.89 HTR1A (0.50) HTR1ADRD2L3MBTL1MAPTTDP1
SCHEMBL692555 0.85 HTR1A (0.67) HTR1ADRD2L3MBTL1MAPTTDP1
SCHEMBL7172523 0.85 HTR1A (0.46) HTR1ADRD2L3MBTL1MAPTTDP1
SCHEMBL5940740 0.83 HTR1A (0.54) HTR1ADRD2L3MBTL1MAPTTDP1
SCHEMBL596532 0.81 HTR1A (0.53) HTR1ADRD2L3MBTL1MAPTTDP1
SCHEMBL13986128 0.81 HTR1A (0.53) HTR1ADRD2L3MBTL1MAPTTDP1
SCHEMBL411706 0.81 L3MBTL1 (0.71) HTR1ADRD2L3MBTL1MAPTTDP1
SCHEMBL695444 0.81 HTR1A (0.53) HTR1ADRD2L3MBTL1MAPTTDP1
SCHEMBL695445 0.81 HPGD (0.53) HTR1ADRD2L3MBTL1MAPTTDP1

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