SCHEMBL7954746

SCHEMBL7954746

O=[N+]([O-])c1ccc(CN2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
ALDH1A1 P00352 3/20 0.68
NPBWR1 P48145 1/20 0.68
MCHR1 Q99705 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
CASP1 P29466 1/20 0.60
CASP4 P49662 1/20 0.60
CASP5 P51878 1/20 0.60
POLB P06746 2/20 0.60
NPC1 O15118 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
KDM4E B2RXH2 3/20 0.58
GAA P10253 1/20 0.58
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
BACE1 P56817 1/20 0.57
HTR7 P34969 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL1127229 0.82 KMT2A (0.66) MAPTALDH1A1POLBNPC1RAB9A
SCHEMBL6704714 0.82 ALDH1A1 (0.97) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL8111511 0.82 HTT (0.77) MAPTALDH1A1POLBNPC1HTT
SCHEMBL5626457 0.80 ALDH1A1 (0.74) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL28070725 0.80 HTR1A (0.60) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL22495425 0.80 KMT2A (0.74) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL3151686 0.80 POLB (0.71) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL22418861 0.80 HTT (0.70) MAPTALDH1A1L3MBTL1POLBNPC1
SCHEMBL8251966 0.80 MAPT (0.66) MAPTALDH1A1POLBNPC1HTT
SCHEMBL13219071 0.80 ALDH1A1 (0.74) MAPTALDH1A1L3MBTL1POLBNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed