SCHEMBL11111272

SCHEMBL11111272

CCC(C)c1ccc2c(c1)C(NCCN(CC)CC)c1ccccc1CO2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.36
TBXA2R P21731 3/20 0.34
NR1H4 Q96RI1 1/20 0.34
AHCY P23526 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HRH1 P35367 2/20 0.32

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
SCHEMBL11114115 0.84 TBXAS1 (0.39) TBXAS1TBXA2RHTR2AHTR2CHRH1
SCHEMBL11113224 0.83 TBXAS1 (0.40) TBXAS1TBXA2RHTR2AHTR2CHRH1
SCHEMBL11129673 0.83 TBXAS1 (0.38) TBXAS1HTR2AHTR2CHRH1
SCHEMBL11117014 0.83 TBXAS1 (0.38) TBXAS1AHCYHTR2AHTR2CHRH1
SCHEMBL11113630 0.82 HTR2B (0.41) TBXAS1TBXA2RHTR2AHTR2CHRH1
SCHEMBL11110382 0.81 SMPD1 (0.42) TBXAS1TBXA2RHTR2AHTR2C
SCHEMBL11111976 0.78 TBXAS1 (0.36) TBXAS1HTR2AHTR2CHRH1
SCHEMBL11111420 0.78 ALOX15 (0.40) TBXAS1TBXA2RHTR2AHTR2CHRH1
SCHEMBL11114001 0.77 MEN1 (0.40) TBXAS1HTR2AHTR2CHRH1
SCHEMBL11113367 0.77 ALDH1A1 (0.39) TBXAS1HTR2AHTR2CHRH1

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