SCHEMBL11114768

SCHEMBL11114768

CN(C)CCCNC1c2ccccc2COc2ccc(Cl)cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.43
HTR2A P28223 8/20 0.39
HTR2C P28335 8/20 0.39
HRH1 P35367 6/20 0.39
ADRA2A P08913 3/20 0.39
DRD2 P14416 3/20 0.39
ADRA2C P18825 3/20 0.39
DRD1 P21728 3/20 0.39
DRD3 P35462 3/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC22A1 O15245 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRB2 P07550 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL11113110 0.93 HTR2B (0.44) HTR2BHTR2AHTR2CHRH1ADRA2A
SCHEMBL11114001 0.89 MEN1 (0.40) HTR2BHTR2AHTR2CHRH1DRD2
SCHEMBL11155482 0.87 HTR2A (0.40) HTR2AHTR2CHRH1KMT2ASLC6A3
SCHEMBL11115157 0.86 HTR2B (0.43) HTR2BHTR2AHTR2CHRH1ADRA2A
SCHEMBL11115014 0.85 TBXAS1 (0.40) HTR2AHTR2CHRH1SLC6A3TBXAS1
SCHEMBL11117014 0.84 TBXAS1 (0.38) HTR2BHTR2AHTR2CHRH1ADRA2A
SCHEMBL11113353 0.80 HRH1 (0.41) HTR2BHTR2AHTR2CHRH1ADRA2A
SCHEMBL11117688 0.79 HTR2B (0.44) HTR2BHTR2AHTR2CHRH1ADRA2A
SCHEMBL11116048 0.78 TBXAS1 (0.41) HTR2AHTR2CHRH1TBXA2RKDM4E
SCHEMBL11111420 0.76 ALOX15 (0.40) HTR2BHTR2AHTR2CHRH1DRD2

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