SCHEMBL11112671

SCHEMBL11112671

Fc1ccc2c(c1)C(NCCOC(c1ccccc1)c1ccccc1)c1ccccc1CO2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.41
SLC6A2 P23975 8/20 0.39
SLC6A4 P31645 8/20 0.39
SLC6A3 Q01959 7/20 0.39
GRM7 Q14831 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL11117688 0.77 HTR2B (0.44) TBXAS1SLC6A2SLC6A4
SCHEMBL11112746 0.75 TBXAS1 (0.43) TBXAS1SLC6A2SLC6A4
SCHEMBL11119745 0.75 ALDH1A1 (0.39) TBXAS1SLC6A2SLC6A4SLC6A3HTT
SCHEMBL11129673 0.75 TBXAS1 (0.38) TBXAS1SLC6A2SLC6A4
SCHEMBL11115157 0.75 HTR2B (0.43) TBXAS1SLC6A2SLC6A4SLC6A3
SCHEMBL11113195 0.73 SMPD1 (0.58)
SCHEMBL11115708 0.72 GRM7 (0.40) TBXAS1SLC6A2SLC6A4SLC6A3GRM7
SCHEMBL11118945 0.71 TBXAS1 (0.39) TBXAS1SLC6A2SLC6A4
SCHEMBL11118942 0.69 DRD2 (0.41) TBXAS1SLC6A2SLC6A4GRM7HTT
SCHEMBL10559305 0.68 DRD2 (0.42) SLC6A2SLC6A4GRM7

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