SCHEMBL4454558

SCHEMBL4454558

Cc1ccc(C(=O)N2CCC(OCc3nc(-c4ccccn4)no3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.56
RAB9A P51151 8/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 2/20 0.50
GPR119 Q8TDV5 1/20 0.50
TP53 P04637 4/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.48
HCRTR1 O43613 1/20 0.47
KDM4E B2RXH2 1/20 0.45
TACR3 P29371 1/20 0.44
TSHR P16473 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL387115 0.84 GPR119 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1GPR119
SCHEMBL4519368 0.83 GPR119 (0.72) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL390747 0.80 GPR119 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1GPR119
SCHEMBL389717 0.72 GPR119 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1GPR119
SCHEMBL10217753 0.71 MET (0.51) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL17888366 0.71 KDM4E (0.61) TP53KDM4ETACR3HTR2BMEN1
SCHEMBL8889364 0.71 NPC1 (0.62) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL389587 0.70 GPR119 (0.79) NPC1RAB9ASMN1; SMN2ALDH1A1GPR119
SCHEMBL17122217 0.69 GPR119 (0.84) NPC1RAB9AGPR119KDM4EKMT2A
SCHEMBL1069801 0.69 GPR119 (0.74) NPC1RAB9ASMN1; SMN2ALDH1A1GPR119

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
EP-1808168-B1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARM INC (US) 2009-06-03 EP disclosed