SCHEMBL11113110

SCHEMBL11113110

CN(C)CCNC1c2ccccc2COc2ccc(Cl)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.44
HTR2A P28223 7/20 0.40
HTR2C P28335 7/20 0.40
HRH1 P35367 5/20 0.40
ADRA2A P08913 3/20 0.40
DRD2 P14416 3/20 0.40
ADRA2C P18825 3/20 0.40
DRD3 P35462 3/20 0.40
DRD1 P21728 2/20 0.40
HTR7 P34969 2/20 0.40
TBXAS1 P24557 2/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL11114768 0.93 HTR2B (0.43) HTR2BHTR2AHTR2CHRH1ADRA2A
SCHEMBL11117014 0.88 TBXAS1 (0.38) HTR2BHTR2AHTR2CHRH1ADRA2A
SCHEMBL11113353 0.87 HRH1 (0.41) HTR2BHTR2AHTR2CHRH1ADRA2A
SCHEMBL11117688 0.86 HTR2B (0.44) HTR2BHTR2AHTR2CHRH1ADRA2A
SCHEMBL11116048 0.85 TBXAS1 (0.41) HTR2AHTR2CHRH1TBXAS1GAA
SCHEMBL11114001 0.84 MEN1 (0.40) HTR2BHTR2AHTR2CHRH1DRD2
SCHEMBL10911835 0.81 TBXAS1 (0.49) HTR2CTBXAS1GAAKDM4EALDH1A1
SCHEMBL11155482 0.80 HTR2A (0.40) HTR2AHTR2CHRH1TBXAS1KMT2A
SCHEMBL11115157 0.79 HTR2B (0.43) HTR2BHTR2AHTR2CHRH1ADRA2A
SCHEMBL11115014 0.78 TBXAS1 (0.40) HTR2AHTR2CHRH1TBXAS1

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