SCHEMBL4717344

SCHEMBL4717344

O=C(NCCC1CCN(c2ccncc2)CC1)c1ccccc1-c1cc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.51
CHRM2 P08172 1/20 0.42
NAMPT P43490 1/20 0.41
F10 P00742 1/20 0.41
CHRM4 P08173 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CHRM1 P11229 1/20 0.40

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
SCHEMBL4716488 0.85 CD274 (0.50) BDKRB1NAMPTF10CHRM4CD274
SCHEMBL4712468 0.80 HRH3 (0.51) BDKRB1NAMPT
SCHEMBL4713068 0.73 BDKRB1 (0.47) BDKRB1NAMPTF10
SCHEMBL4714985 0.73 BDKRB1 (0.51) BDKRB1F10CHRM4
SCHEMBL4715173 0.71 BDKRB1 (0.69) BDKRB1F10
SCHEMBL4718806 0.71 BDKRB1 (0.52) BDKRB1CHRM2CHRM4
SCHEMBL5842753 0.70 BDKRB1 (0.51) BDKRB1CHRM2F10CHRM4
SCHEMBL4714121 0.70 BDKRB1 (0.70) BDKRB1F10
SCHEMBL4790805 0.70 VCP (0.54) BDKRB1
SCHEMBL4717342 0.70 ACHE (0.50) NAMPTF10

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-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed