SCHEMBL11113353

SCHEMBL11113353

Cc1ccc2c(c1)C(NCCN(C)C)c1ccccc1CO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.41
HTR2A P28223 4/20 0.41
HTR2C P28335 3/20 0.41
RCE1 Q9Y256 2/20 0.41
TBXAS1 P24557 2/20 0.40
TBXA2R P21731 2/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNH2 Q12809 2/20 0.36
HTR2B P41595 2/20 0.36
SLC22A1 O15245 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 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
SCHEMBL11155482 0.93 HTR2A (0.40) HRH1HTR2AHTR2CRCE1TBXAS1
SCHEMBL11114115 0.88 TBXAS1 (0.39) HRH1HTR2AHTR2CRCE1TBXAS1
SCHEMBL11113110 0.87 HTR2B (0.44) HRH1HTR2AHTR2CTBXAS1TBXA2R
SCHEMBL11117688 0.87 HTR2B (0.44) HRH1HTR2AHTR2CTBXAS1GAA
SCHEMBL11116048 0.86 TBXAS1 (0.41) HRH1HTR2AHTR2CTBXAS1TBXA2R
SCHEMBL11111420 0.84 ALOX15 (0.40) HRH1HTR2AHTR2CTBXAS1TBXA2R
SCHEMBL11016894 0.83 CYP2D6 (0.37) HRH1HTR2CRCE1TBXAS1KDM4E
SCHEMBL10911835 0.82 TBXAS1 (0.49) HTR2CTBXAS1TBXA2RGAAALDH1A1
SCHEMBL11001965 0.81 TBXAS1 (0.46) TBXAS1TBXA2RGAAMAPT
SCHEMBL11115157 0.80 HTR2B (0.43) HRH1HTR2AHTR2CTBXAS1HTR2B

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