SCHEMBL6677526

SCHEMBL6677526

Nc1ccc(NCCc2ccccn2)nc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.69
APP P05067 4/20 0.51
HRH1 P35367 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALOX15 P16050 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
EGFR P00533 1/20 0.45
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6754285 0.84 MAOA (0.64) CYP1A2APPHRH1MAOAMAOB
SCHEMBL27513658 0.82 CYP1A2 (1.00) CYP1A2APPHRH1MKNK1HRH3
SCHEMBL1108633 0.82 CYP1A2 (0.69) CYP1A2APPMKNK1HRH3ALDH1A1
SCHEMBL4842263 0.80 MAOA (0.71) CYP1A2APPHRH1HRH3MAOA
SCHEMBL4967404 0.80 HRH4 (0.52) CYP1A2APPHRH3MAOAMAOB
SCHEMBL13763363 0.79 CYP1A2 (0.65) CYP1A2APPMKNK1HRH3ALDH1A1
SCHEMBL6792327 0.79 HRH1 (0.62) CYP1A2HRH1HRH3MAOAMAOB
SCHEMBL13757443 0.78 CYP1A2 (0.63) CYP1A2APPMKNK1HRH3ALDH1A1
Hydrochloric Acid SCHEMBL4843995 0.78 MAOA (0.69) CYP1A2APPHRH1HRH3MAOA
SCHEMBL30639140 0.78 HRH4 (0.45) HRH3ALDH1A1LMNA

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-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed