SCHEMBL11155482

SCHEMBL11155482

Cc1ccc2c(c1)C(NCCCN(C)C)c1ccccc1CO2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.40
HRH1 P35367 3/20 0.40
HTR2C P28335 3/20 0.40
RCE1 Q9Y256 1/20 0.40
TBXAS1 P24557 1/20 0.39
TBXA2R P21731 1/20 0.38
SLC6A3 Q01959 1/20 0.37
SMPD1 P17405 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL11113353 0.93 HRH1 (0.41) HTR2AHRH1HTR2CRCE1TBXAS1
SCHEMBL11111420 0.89 ALOX15 (0.40) HTR2AHRH1HTR2CTBXAS1TBXA2R
SCHEMBL11115157 0.87 HTR2B (0.43) HTR2AHRH1HTR2CTBXAS1SLC6A3
SCHEMBL11114768 0.87 HTR2B (0.43) HTR2AHRH1HTR2CTBXAS1TBXA2R
SCHEMBL11115014 0.86 TBXAS1 (0.40) HTR2AHRH1HTR2CTBXAS1SLC6A3
SCHEMBL11114115 0.84 TBXAS1 (0.39) HTR2AHRH1HTR2CRCE1TBXAS1
SCHEMBL11113110 0.80 HTR2B (0.44) HTR2AHRH1HTR2CTBXAS1TBXA2R
SCHEMBL11117688 0.80 HTR2B (0.44) HTR2AHRH1HTR2CTBXAS1
SCHEMBL11116048 0.79 TBXAS1 (0.41) HTR2AHRH1HTR2CTBXAS1TBXA2R
SCHEMBL11117514 0.78 TBXAS1 (0.38) TBXAS1TBXA2RKMT2A

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
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