SCHEMBL15943751

SCHEMBL15943751

[N-]=[N+]=NC1CC2C=CC=CC2C(c2cccc(Br)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HRH3 Q9Y5N1 1/20 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
SCHEMBL15393693 0.85 HTR2C (0.37) HTR2AHTR2CHTR2BSLC6A4SLC6A3
SCHEMBL15763556 0.82 HTR2C (0.41) KDM1AHTR2AHTR2CHTR2B
SCHEMBL15943752 0.73 HTR2A (0.44) KDM1AHTR2AHTR2CHTR2BSLC6A4
SCHEMBL15943750 0.69 KDM1A (0.47) KDM1AHTR2AHTR2CHTR2BSLC6A4
SCHEMBL15372957 0.64 KDM1A (0.66) KDM1AHTR2AHTR2CHTR2BSLC6A4
SCHEMBL8329871 0.64 KDM1A (0.66) KDM1AHTR2AHTR2CHTR2BSLC6A4
SCHEMBL12039130 0.63 KDM1A (0.40) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL4377576 0.61 KDM1A (0.56) KDM1AHTR2AHTR2CHTR2BSLC6A4
SCHEMBL9945850 0.61 HTR2C (0.46) KDM1AHTR2AHTR2CHTR2BSLC6A4
SCHEMBL9945849 0.61 HTR2C (0.42) HTR2AHTR2CHTR2BSLC6A4SLC6A3

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