SCHEMBL6826302

SCHEMBL6826302

CC1CCN(NC(=O)c2cccnc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
GAA P10253 2/20 0.62
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NPC1 O15118 1/20 0.62
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
THRB P10828 1/20 0.47
HIF1A Q16665 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 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
Hydrochloric Acid SCHEMBL30589354 0.85 HDAC1 (0.49) RAB9AGAAMAPTSMN1; SMN2NPC1
SCHEMBL29634427 0.84 HTT (0.63) RAB9AGAAMAPTSMN1; SMN2NPC1
SCHEMBL29634479 0.82 HTT (0.66) RAB9AMAPTSMN1; SMN2NPC1TSHR
SCHEMBL29173061 0.82 HDAC1 (0.49) RAB9AGAAMAPTSMN1; SMN2NPC1
SCHEMBL28138491 0.82 HTT (0.65) GAAMAPTSMN1; SMN2ALDH1A1HDAC6
SCHEMBL4538968 0.80 ALDH1A1 (0.56) RAB9AGAAMAPTSMN1; SMN2NPC1
SCHEMBL29634403 0.80 SMN1; SMN2 (0.62) RAB9AGAAMAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL18281395 0.79 ALDH1A1 (0.54) RAB9AGAAMAPTSMN1; SMN2NPC1
SCHEMBL28715490 0.78 SMN1; SMN2 (0.51) RAB9AGAAMAPTSMN1; SMN2NPC1
SCHEMBL13073616 0.78 ACHE (0.67) RAB9AGAAMAPTSMN1; SMN2NPC1

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-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed