SCHEMBL1387370

SCHEMBL1387370

COc1ccc(N2CCN(Cc3coc4c(OC)cccc34)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
KMT2A Q03164 1/20 0.54
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
ALDH1A1 P00352 2/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 3/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
SMO Q99835 1/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 3/20 0.47
HTR7 P34969 2/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD2 P14416 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR1A P08908 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
SCHEMBL1387341 0.82 MAPT (0.57) MAPTKMT2ADRD4DRD3ALDH1A1
SCHEMBL1387671 0.78 HTR1A (0.55) MAPTKMT2AALDH1A1KDM4EGAA
SCHEMBL29023331 0.73 MAPT (0.55) MAPTKMT2ADRD4DRD3ALDH1A1
SCHEMBL30299444 0.73 MAPT (0.55) MAPTKMT2ADRD4DRD3ALDH1A1
SCHEMBL806348 0.70 ALDH1A1 (0.54) MAPTKMT2AALDH1A1KDM4ELMNA
SCHEMBL11923385 0.69 SIGMAR1 (0.79) MAPTKMT2ADRD4ALDH1A1NPSR1
SCHEMBL7962995 0.69 ALDH1A1 (0.49) MAPTKMT2AALDH1A1KDM4EGAA
SCHEMBL7953106 0.69 ALDH1A1 (0.53) MAPTKMT2AALDH1A1KDM4ELMNA
SCHEMBL15938040 0.69 HTR7 (0.74) MAPTKMT2ADRD4DRD3GAA
SCHEMBL29764208 0.69 HTR7 (0.74) MAPTKMT2ADRD4DRD3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09512542-A 1997-12-16 JP claimed
EP-0757686-A1 BENZOFURAN DERIVATIVES AS D 4? RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-02-12 EP claimed
WO-1995029911-A1 BENZOFURAN DERIVATIVES AS D4 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-09 WO claimed
US-5665722-A Benzofuran derivatives as D4 receptor antagonists MERCK, SHARP & DOHME, LTD. (GB) 1997-09-09 US disclosed
EP-0757686-A1 BENZOFURAN DERIVATIVES AS D 4? RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-02-12 EP disclosed
WO-1995029911-A1 BENZOFURAN DERIVATIVES AS D4 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-09 WO disclosed