SCHEMBL11115708

SCHEMBL11115708

Fc1ccc(C(NC2c3ccccc3COc3ccc(F)cc32)c2ccc(F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 6/20 0.40
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 6/20 0.37
CHRM1 P11229 4/20 0.37
P4HB P07237 1/20 0.35
TBXAS1 P24557 1/20 0.35
MAPK14 Q16539 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
NR3C2 P08235 1/20 0.34
MAOB P27338 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL11118942 0.76 DRD2 (0.41) GRM7SLC6A2SLC6A4TBXAS1DRD2
SCHEMBL10559305 0.75 DRD2 (0.42) GRM7SLC6A2SLC6A4MAPK14DRD2
SCHEMBL10447051 0.74 SLC6A2 (0.39) GRM7SLC6A2SLC6A4MAPK14DRD2
SCHEMBL10444467 0.73 GRM7 (0.40) GRM7SLC6A2SLC6A4MAPK14DRD2
SCHEMBL11112671 0.72 TBXAS1 (0.41) GRM7SLC6A2SLC6A4TBXAS1SLC6A3
SCHEMBL11117688 0.72 HTR2B (0.44) SLC6A2SLC6A4TBXAS1MAPK14DRD2
SCHEMBL11118052 0.72 ACHE (0.39) SLC6A2SLC6A4CHRM1P4HBDRD2
SCHEMBL7526493 0.70 DRD2 (0.39) GRM7SLC6A2SLC6A4MAPK14DRD2
SCHEMBL11115157 0.70 HTR2B (0.43) SLC6A2SLC6A4TBXAS1DRD2DRD3
SCHEMBL11129673 0.70 TBXAS1 (0.38) SLC6A2SLC6A4TBXAS1MAPK14DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038564-B1 DIBENZ (B,E) OXEPIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1984-09-12 EP disclosed
US-4396550-A ANTICHOLINERGIC, ANTIHISTIMINIC AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-08-02 US disclosed
EP-0038564-A1 Dibenz (b,e) oxepin derivatives and pharmaceutical compositions comprising them KYOWA HAKKO KOGYO CO., LTD (JP) 1981-10-28 EP disclosed