SCHEMBL2844111

SCHEMBL2844111

CN1CCN(CC#N)CC1c1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
MAPK9 P45984 2/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CASP7 P55210 1/20 0.36
PKM P14618 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL24405088 0.76 ALDH1A1 (0.47) KMT2AALDH1A1
SCHEMBL3674370 0.70 HTT (0.41) HTTSMN1; SMN2MAPTMAPK9ALDH1A1
SCHEMBL13727500 0.69 HTT (0.48) HTTPOLBSMN1; SMN2MAPTTSHR
SCHEMBL2843864 0.68 HTT (0.42) HTTPOLBSMN1; SMN2KMT2AMAPT
SCHEMBL27547450 0.66 HTT (0.48) HTTPOLBSMN1; SMN2MAPTTSHR
SCHEMBL7001948 0.65 HTT (0.44) HTTPOLBSMN1; SMN2MAPTTSHR
SCHEMBL7122892 0.65 HTT (0.44) HTTPOLBSMN1; SMN2MAPTTSHR
SCHEMBL25478784 0.65 ALDH1A1 (0.35) KMT2AMAPTALDH1A1
SCHEMBL23269734 0.64 HTT (0.51) HTTPOLBSMN1; SMN2MAPTMAPK9
SCHEMBL14183799 0.63 QDPR (0.54) HTTPOLBSMN1; SMN2MAPTMAPK9

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
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO disclosed