SCHEMBL5320344

SCHEMBL5320344

Clc1nc(N2CCN(Cc3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
MAPT P10636 4/20 0.65
NPSR1 Q6W5P4 2/20 0.65
MAPK1 P28482 1/20 0.65
ALDH1A1 P00352 4/20 0.62
LMNA P02545 3/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.61
CASP1 P29466 1/20 0.57
CASP5 P51878 1/20 0.57
NCF1 P14598 1/20 0.56
ACHE P22303 1/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
KDM1A O60341 1/20 0.53
MEN1 O00255 1/20 0.52
GRM2 Q14416 1/20 0.52

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
SCHEMBL1083795 0.84 HTR3A (0.68) KDM4EMAPTNPSR1MAPK1ALDH1A1
SCHEMBL4632313 0.82 ALDH1A1 (0.57) KDM4EMAPTNPSR1MAPK1ALDH1A1
SCHEMBL9819496 0.82 KDM4E (0.51) KDM4EMAPTNPSR1MAPK1ALDH1A1
SCHEMBL27554696 0.81 KDM4E (0.64) KDM4EMAPTNPSR1MAPK1ALDH1A1
SCHEMBL1933660 0.81 HRH4 (0.70) KDM4ENPSR1ALDH1A1CASP1NCF1
SCHEMBL3644988 0.80 L3MBTL1 (0.69) KDM4EMAPTNPSR1MAPK1ALDH1A1
SCHEMBL12134666 0.80 KDM4E (0.98) KDM4EMAPTNPSR1MAPK1ALDH1A1
SCHEMBL11384876 0.79 CASP1 (0.66) KDM4EMAPTNPSR1MAPK1ALDH1A1
SCHEMBL11399972 0.76 LMNA (0.57) KDM4EMAPTNPSR1MAPK1ALDH1A1
SCHEMBL11280922 0.76 LMNA (0.60) KDM4EMAPTNPSR1MAPK1ALDH1A1

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
WO-2007108743-A2 NOVEL QUINAZOLINES AS 5-HT6 MODULATORS II ASTRAZENECA AB (SE) 2007-09-27 WO disclosed