SCHEMBL7430840

SCHEMBL7430840

COC1(Br)C=CC(c2ccccc2)C=C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31

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
SCHEMBL10597221 0.80 TSHR (0.32) KDM1AMAOAMAOB
SCHEMBL5185255 0.80 POLB (0.34) KDM1AMAOAMAOB
SCHEMBL7427186 0.79 KDM1A (0.39) KDM1AMAOAMAOB
SCHEMBL10715859 0.78 HTR2A (0.33)
SCHEMBL10599695 0.78 KDM1A (0.32) KDM1AMAOAMAOB
SCHEMBL2390258 0.77 HTR2C (0.32) KDM1AMAOAMAOB
SCHEMBL7511837 0.77 KDM1A (0.40) KDM1AMAOAMAOB
SCHEMBL5576897 0.77 KDM1A (0.31) KDM1AMAOAMAOB
SCHEMBL9466795 0.77 CHRNA7 (0.34) KDM1AMAOAMAOB
SCHEMBL8077336 0.77 KDM1A (0.38) KDM1AMAOAMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109456301-B Crown ether-containing HBC compound and preparation and application thereof 东华大学 2021-07-02 CN disclosed
EP-0958280-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-11-24 EP disclosed
WO-1999023072-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-05-14 WO disclosed