SCHEMBL11118945

SCHEMBL11118945

Cc1cccc(CCCNC2c3ccccc3COc3ccc(F)cc32)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.39
SMPD1 P17405 2/20 0.39
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
GRIN2B Q13224 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
GRIN1 Q05586 1/20 0.34

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
SCHEMBL11115157 0.80 HTR2B (0.43) TBXAS1SLC6A2SLC6A4DRD2DRD3
SCHEMBL11119745 0.78 ALDH1A1 (0.39) TBXAS1SMPD1SLC6A2SLC6A4DRD2
SCHEMBL11113195 0.78 SMPD1 (0.58) SMPD1POLBMAPT
SCHEMBL11117688 0.77 HTR2B (0.44) TBXAS1SLC6A2SLC6A4DRD2DRD3
SCHEMBL11112746 0.76 TBXAS1 (0.43) TBXAS1SLC6A2SLC6A4DRD2DRD3
SCHEMBL11129673 0.75 TBXAS1 (0.38) TBXAS1SLC6A2SLC6A4DRD2DRD3
SCHEMBL11155482 0.74 HTR2A (0.40) TBXAS1SMPD1
SCHEMBL11111420 0.72 ALOX15 (0.40) TBXAS1SMPD1SLC6A2SLC6A4SIGMAR1
SCHEMBL11118942 0.72 DRD2 (0.41) TBXAS1POLBSLC6A2SLC6A4SIGMAR1
SCHEMBL11113353 0.71 HRH1 (0.41) TBXAS1MAPTSLC6A2SLC6A4SIGMAR1

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 2 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