SCHEMBL5228081

SCHEMBL5228081

CCOc1cccc(CNCCc2ccccc2OCC)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.68
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
NPY1R P25929 1/20 0.52
HTT P42858 1/20 0.52
NPY2R P49146 1/20 0.52
HTR2A P28223 2/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTR2C P28335 1/20 0.50
HTR6 P50406 1/20 0.48
ATM Q13315 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
SCHEMBL5947311 0.91 BCHE (0.64) BCHEKMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL5223504 0.84 BCHE (0.66) BCHESMN1; SMN2KDM4EALDH1A1
SCHEMBL5947382 0.83 BCHE (0.77) BCHEKMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL5222217 0.81 BCHE (0.66) BCHEKMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL21243275 0.80 ALDH1A1 (0.58) BCHEKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9080552 0.79 ALDH1A1 (0.76) BCHEKMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL5228083 0.78 BCHE (0.56) BCHEKMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL5947547 0.78 BCHE (0.59) BCHESMN1; SMN2KDM4EALDH1A1
SCHEMBL5947412 0.78 KDM4E (0.79) BCHEKMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL2533896 0.77 BCHE (0.57) BCHESMN1; SMN2ALDH1A1

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