SCHEMBL5222217

SCHEMBL5222217

CCOc1ccc(CCNCc2cccc(OCC)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.66
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
THRB P10828 1/20 0.49

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
SCHEMBL5947204 0.93 BCHE (0.59) BCHESMN1; SMN2KDM4E
SCHEMBL5223504 0.92 BCHE (0.66) BCHESMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL5947336 0.91 BCHE (0.62) BCHESMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5947547 0.86 BCHE (0.59) BCHESMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL2533896 0.85 BCHE (0.57) BCHESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5947391 0.82 BCHE (0.73) BCHESMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5175955 0.82 BCHE (0.53) BCHESMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3957976 0.82 BCHE (0.78) BCHE
SCHEMBL19532617 0.81 BCHE (0.71) BCHE
SCHEMBL5947343 0.81 KDM4E (0.68) BCHESMN1; SMN2MEN1KMT2AKDM4E

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