SCHEMBL4967445

SCHEMBL4967445

NCC(NCCN1CCNCC1)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
RAD52 P43351 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RECQL P46063 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CXCR4 P61073 2/20 0.34
KDM1A O60341 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ACE2 Q9BYF1 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32

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
SCHEMBL8104892 0.87 HSD17B10 (0.44) HSD17B10ANPEPERAP2RAD52MEN1
SCHEMBL28366615 0.75 HSD17B10 (0.49) HSD17B10ANPEPERAP2RAD52MEN1
SCHEMBL8095289 0.73 CARM1 (0.36) ALDH1A1KDM1AL3MBTL1ACE2TSHR
SCHEMBL13185218 0.72 RAD52 (0.50) HSD17B10ANPEPERAP2RAD52MEN1
SCHEMBL28670801 0.72 CHRM5 (0.31) MEN1KMT2ACHRM5CHRM3
SCHEMBL2463406 0.70 ANPEP (0.42) HSD17B10ANPEPERAP2RAD52MEN1
SCHEMBL14500287 0.69 HSD17B10 (0.50) HSD17B10ANPEPERAP2RAD52MEN1
SCHEMBL28879363 0.69 MEN1 (0.52) HSD17B10ANPEPERAP2RAD52MEN1
SCHEMBL14500286 0.69 HSD17B10 (0.53) HSD17B10ANPEPERAP2RAD52MEN1
SCHEMBL302850 0.68 ACE2 (0.72) HSD17B10ANPEPERAP2RAD52MEN1

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-1962851-A2 COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-03 EP disclosed
WO-2007076320-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed