SCHEMBL15943752

SCHEMBL15943752

CN(C)C1CC2C=CC=CC2C(c2cccc(Br)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.44
HTR2C P28335 7/20 0.44
HTR2B P41595 7/20 0.44
HRH3 Q9Y5N1 7/20 0.44
KDM1A O60341 4/20 0.44
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
RCOR1 Q9UKL0 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
EPAS1 Q99814 2/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL9945851 0.85 HTR2C (0.40) HTR2AHTR2CHTR2BSLC6A4SLC6A3
SCHEMBL9947168 0.82 HTR2C (0.45) HTR2AHTR2CHTR2BKDM1ARCOR1
SCHEMBL15943751 0.73 KDM1A (0.41) HTR2AHTR2CHTR2BHRH3KDM1A
SCHEMBL15943750 0.71 KDM1A (0.47) HTR2AHTR2CHTR2BHRH3KDM1A
SCHEMBL15372957 0.69 KDM1A (0.66) HTR2AHTR2CHTR2BHRH3KDM1A
SCHEMBL8329871 0.69 KDM1A (0.66) HTR2AHTR2CHTR2BHRH3KDM1A
SCHEMBL21311657 0.66 HTR2A (0.50) HTR2AHTR2CHTR2BHRH3KDM1A
SCHEMBL9945850 0.66 HTR2C (0.46) HTR2AHTR2CHTR2BKDM1ASLC6A4
SCHEMBL9945849 0.66 HTR2C (0.42) HTR2AHTR2CHTR2BSLC6A4SLC6A3
SCHEMBL12039130 0.65 KDM1A (0.40) HTR2AHTR2CHTR2BHRH3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164324-B1 THERAPEUTIC COMPOUNDS UNIV FLORIDA (US) 2014-08-13 EP disclosed