SCHEMBL11129673

SCHEMBL11129673

CCN(CC)CCNC1c2ccccc2COc2ccc(F)cc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.38
MAPK14 Q16539 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
HTR2B P41595 1/20 0.36
HTR2C P28335 6/20 0.34
HTR2A P28223 4/20 0.34
HRH1 P35367 4/20 0.34
ADRA2A P08913 2/20 0.34
DRD2 P14416 2/20 0.34
ADRA2C P18825 2/20 0.34
HTR7 P34969 2/20 0.34
DRD3 P35462 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 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
SCHEMBL11119745 0.93 ALDH1A1 (0.39) TBXAS1MAPK14SLC6A2SLC6A4HTR2B
SCHEMBL11117688 0.88 HTR2B (0.44) TBXAS1MAPK14SLC6A2SLC6A4HTR2B
SCHEMBL11114115 0.87 TBXAS1 (0.39) TBXAS1SLC6A2HTR2BHTR2CHTR2A
SCHEMBL11112746 0.87 TBXAS1 (0.43) TBXAS1SLC6A2SLC6A4HTR2BHTR2C
SCHEMBL11117014 0.86 TBXAS1 (0.38) TBXAS1SLC6A2SLC6A4HTR2BHTR2C
SCHEMBL11113224 0.86 TBXAS1 (0.40) TBXAS1HTR2CHTR2AHRH1ALDH1A1
SCHEMBL11113630 0.85 HTR2B (0.41) TBXAS1HTR2BHTR2CHTR2AHRH1
SCHEMBL11110382 0.84 SMPD1 (0.42) TBXAS1HTR2BHTR2CHTR2ADRD2
SCHEMBL11115157 0.84 HTR2B (0.43) TBXAS1SLC6A2SLC6A4HTR2BHTR2C
SCHEMBL11111272 0.83 TBXAS1 (0.36) TBXAS1HTR2CHTR2AHRH1

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