SCHEMBL11111976

SCHEMBL11111976

CCN(CC)CCNC1c2ccccc2COc2ccc(C3CCCCC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.36
KDM4E B2RXH2 1/20 0.33
S1PR1 P21453 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PRMT5 O14744 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HRH1 P35367 2/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL11114115 0.83 TBXAS1 (0.39) TBXAS1ALDH1A1PRMT5HTR2AHTR2C
SCHEMBL11129673 0.82 TBXAS1 (0.38) TBXAS1ALDH1A1HTR2AHTR2CHRH1
SCHEMBL11117014 0.82 TBXAS1 (0.38) TBXAS1KDM4EHTR2AHTR2CHRH1
SCHEMBL11113224 0.82 TBXAS1 (0.40) TBXAS1ALDH1A1HTR2AHTR2CHRH1
SCHEMBL11113630 0.81 HTR2B (0.41) TBXAS1S1PR1HTR2AHTR2CHRH1
SCHEMBL11110382 0.80 SMPD1 (0.42) TBXAS1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL11111420 0.79 ALOX15 (0.40) TBXAS1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL11111272 0.78 TBXAS1 (0.36) TBXAS1HTR2AHTR2CHRH1
SCHEMBL11114001 0.78 MEN1 (0.40) TBXAS1ALDH1A1HTR2AHTR2CHRH1
SCHEMBL11113367 0.78 ALDH1A1 (0.39) TBXAS1KDM4EALDH1A1HTR2AHTR2C

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 4 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 claimed
US-4396550-A ANTICHOLINERGIC, ANTIHISTIMINIC AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-08-02 US claimed
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