SCHEMBL4753603

SCHEMBL4753603

Cc1ccccc1CCc1nc(N2CCN(CC=O)CC2)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ACHE P22303 1/20 0.42
HTT P42858 2/20 0.42
GBA1 P04062 2/20 0.41
PDE10A Q9Y233 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C19 P33261 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 3/20 0.39
CLK4 Q9HAZ1 2/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL4755931 0.84 MEN1 (0.56) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL4754030 0.79 KMT2A (0.58) ALDH1A1MAPTGBA1SMN1; SMN2KMT2A
SCHEMBL4085104 0.76 ALDH1A1 (0.60) ALDH1A1LMNAKDM4ECYP1A2CYP3A4
SCHEMBL4096964 0.76 MEN1 (0.57) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL4097314 0.72 KMT2A (0.59) ALDH1A1MAPTGBA1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL31464068 0.71 KCNH2 (0.49) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL4755807 0.70 GBA1 (0.63) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL4754102 0.70 KMT2A (0.72) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL4755874 0.70 HIF1A (0.67) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL4755806 0.70 RAB9A (0.69) ALDH1A1LMNAMAPTKDM4EHPGD

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-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed