SCHEMBL6440706

SCHEMBL6440706

CCCCOC(=O)NCCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
ACHE P22303 7/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
NAAA Q02083 1/20 0.49
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL8507123 0.86 HPGD (0.67) HPGDHSD17B10SMN1; SMN2RAB9A
SCHEMBL157366 0.86 HRH3 (0.53) SMN1; SMN2RAB9ANPC1LMNATDP1
SCHEMBL30890579 0.85 HPGD (0.65) HPGDHSD17B10SMN1; SMN2RAB9A
SCHEMBL9416024 0.85 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1LMNATDP1
SCHEMBL9415918 0.84 TAS1R3 (0.55) SMN1; SMN2RAB9ANPC1LMNATDP1
SCHEMBL5697922 0.84 KCNA5 (0.54) HPGDHSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL9691525 0.83 HPGD (0.56) HPGDHSD17B10SMN1; SMN2ACHERAB9A
SCHEMBL9695155 0.83 HPGD (0.56) HPGDHSD17B10SMN1; SMN2ACHERAB9A
SCHEMBL9695556 0.83 HPGD (0.56) HPGDHSD17B10SMN1; SMN2ACHERAB9A
SCHEMBL9694059 0.83 HPGD (0.56) HPGDHSD17B10SMN1; SMN2ACHERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO disclosed