SCHEMBL4768529

SCHEMBL4768529

COc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.74
LMNA P02545 6/20 0.74
NPC1 O15118 6/20 0.74
RAB9A P51151 5/20 0.74
KDM4E B2RXH2 4/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
NFKB1 P19838 3/20 0.74
NFKB2 Q00653 3/20 0.74
RELA Q04206 3/20 0.74
RECQL P46063 1/20 0.74
KMT2A Q03164 7/20 0.58
MEN1 O00255 6/20 0.58
ALDH1A1 P00352 4/20 0.58
GAA P10253 1/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
IMPDH2 P12268 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL4768541 1.00 MAPT (0.74) MAPTLMNANPC1RAB9AKDM4E
Trifluoroacetic Acid SCHEMBL4765419 0.94 MAPT (0.66) MAPTLMNANPC1RAB9AKDM4E
Trifluoroacetic Acid SCHEMBL4765425 0.94 MAPT (0.66) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL8201867 0.83 MAPT (0.63) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL8210516 0.83 MAPT (0.75) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL8205361 0.83 MAPT (0.75) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL4773031 0.83 TRPV1 (0.53) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL4773020 0.83 TRPV1 (0.53) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL4767410 0.83 MAPT (0.57) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL4767400 0.83 MAPT (0.57) MAPTLMNANPC1RAB9AKDM4E

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-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed