SCHEMBL6160212

SCHEMBL6160212

CCCCOC(=O)ONCCC1CCN(c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.45
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
F10 P00742 2/20 0.40
BDKRB1 P46663 6/20 0.40
HRH3 Q9Y5N1 4/20 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
SCHEMBL5785613 0.84 KDM4E (0.47) KMT2AHRH3
SCHEMBL4420793 0.83 BDKRB1 (0.42) F10BDKRB1HRH3
SCHEMBL5842753 0.76 BDKRB1 (0.51) F10BDKRB1
SCHEMBL4793955 0.74 BDKRB1 (0.49) SMN1; SMN2F10BDKRB1
SCHEMBL6160214 0.74 SPHK1 (0.46) SPHK1ITGB3ITGA2BNPC1MAPT
SCHEMBL21101188 0.72 CHKA (0.50) ITGB3ITGA2BMAPTF10BDKRB1
SCHEMBL4718806 0.72 BDKRB1 (0.52) ITGB3ITGA2BBDKRB1
SCHEMBL5180328 0.71 DNM1 (0.43) SPHK1ITGB3ITGA2BF10HRH3
SCHEMBL5178486 0.71 DNM1 (0.43) SPHK1ITGB3ITGA2BF10HRH3
SCHEMBL786310 0.71 CHKA (0.46) ITGB3ITGA2BF10BDKRB1HRH3

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-1549622-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS Elian Pharmaceuticals Inc. (US) 2005-07-06 EP disclosed
WO-2004033436-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC (US) 2004-04-22 WO disclosed