SCHEMBL11115014

SCHEMBL11115014

CCc1ccc2c(c1)C(NCCCN(C)C)c1ccccc1CO2

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.40
SMPD1 P17405 2/20 0.39
HTR2A P28223 3/20 0.38
HRH1 P35367 3/20 0.38
HTR2C P28335 3/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL11116048 0.93 TBXAS1 (0.41) TBXAS1SMPD1HTR2AHRH1HTR2C
SCHEMBL11113367 0.90 ALDH1A1 (0.39) TBXAS1SMPD1HTR2AHRH1HTR2C
SCHEMBL11155482 0.86 HTR2A (0.40) TBXAS1SMPD1HTR2AHRH1HTR2C
SCHEMBL11115157 0.85 HTR2B (0.43) TBXAS1HTR2AHRH1HTR2CSLC6A3
SCHEMBL11113224 0.85 TBXAS1 (0.40) TBXAS1SMPD1HTR2AHRH1HTR2C
SCHEMBL11114768 0.85 HTR2B (0.43) TBXAS1HTR2AHRH1HTR2CSLC6A3
SCHEMBL11113353 0.79 HRH1 (0.41) TBXAS1HTR2AHRH1HTR2C
SCHEMBL11113259 0.78 TRPC5 (0.40) TBXAS1
SCHEMBL11113110 0.78 HTR2B (0.44) TBXAS1HTR2AHRH1HTR2C
SCHEMBL11117688 0.78 HTR2B (0.44) TBXAS1HTR2AHRH1HTR2C

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 5 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
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