SCHEMBL11116048

SCHEMBL11116048

CCc1ccc2c(c1)C(NCCN(C)C)c1ccccc1CO2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.41
HRH1 P35367 3/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMPD1 P17405 1/20 0.36
LMNA P02545 1/20 0.36
PARP1 P09874 1/20 0.36
TBXA2R P21731 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
SCHEMBL11115014 0.93 TBXAS1 (0.40) TBXAS1HRH1HTR2AHTR2CSMPD1
SCHEMBL11113224 0.90 TBXAS1 (0.40) TBXAS1HRH1HTR2AHTR2CALDH1A1
SCHEMBL11113353 0.86 HRH1 (0.41) TBXAS1HRH1HTR2AHTR2CKDM4E
SCHEMBL11113367 0.85 ALDH1A1 (0.39) TBXAS1HRH1HTR2AHTR2CKDM4E
SCHEMBL11113110 0.85 HTR2B (0.44) TBXAS1HRH1HTR2AHTR2CKDM4E
SCHEMBL11117688 0.85 HTR2B (0.44) TBXAS1HRH1HTR2AHTR2CKDM4E
SCHEMBL11001965 0.81 TBXAS1 (0.46) TBXAS1GAATBXA2R
SCHEMBL11113259 0.80 TRPC5 (0.40) TBXAS1KDM4EALDH1A1
SCHEMBL10911835 0.80 TBXAS1 (0.49) TBXAS1HTR2CKDM4EALDH1A1GAA
SCHEMBL10877858 0.79 TBXA2R (0.52) TBXAS1TBXA2R

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