SCHEMBL5228083

SCHEMBL5228083

CCOc1cccc(CCNCc2ccccc2)c1OCC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.56
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
MPO P05164 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 2/20 0.48
NPY1R P25929 1/20 0.48
HTT P42858 1/20 0.48
NPY2R P49146 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL11571903 0.80 BCHE (0.66) BCHEKMT2AALDH1A1LMNAKDM4E
SCHEMBL5228081 0.78 BCHE (0.68) BCHEKMT2AALDH1A1MEN1LMNA
SCHEMBL5947311 0.78 BCHE (0.64) BCHEKMT2AALDH1A1MEN1LMNA
SCHEMBL30877044 0.77 MAPK1 (0.77) BCHEKMT2AALDH1A1MEN1LMNA
SCHEMBL27312115 0.77 MAPK1 (0.77) BCHEKMT2AALDH1A1MEN1LMNA
SCHEMBL31614388 0.77 BCHE (0.57) BCHEKMT2AALDH1A1MEN1MPO
SCHEMBL11714815 0.77 BCHE (0.57) BCHEKMT2AALDH1A1MEN1MPO
SCHEMBL4859974 0.76 BCHE (0.77) BCHEKMT2AALDH1A1LMNAMPO
SCHEMBL22864059 0.75 L3MBTL1 (0.46) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL21243275 0.75 ALDH1A1 (0.58) BCHEKMT2AALDH1A1MEN1HTR1A

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-1379239-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2007-09-12 EP claimed
EP-1379239-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2007-09-12 EP disclosed