SCHEMBL5023849

SCHEMBL5023849

O=C(NCCCn1ccnc1)O[C@@H]1C[C@@H]1CN1CCN(c2noc3ccsc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
DRD3 P35462 2/20 0.37
MAPK1 P28482 1/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GFER P55789 1/20 0.36
NAMPT P43490 1/20 0.36
POLB P06746 1/20 0.36
FPR3 P25089 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
SCHEMBL5023358 0.79 NAMPT (0.37) NPC1SMN1; SMN2ALDH1A1GAANAMPT
SCHEMBL5016836 0.76 L3MBTL1 (0.36) LMNANPC1KDM4ESMN1; SMN2MAPK1
SCHEMBL13201260 0.75 LMNA (0.42) LMNARAB9ANPC1KDM4ENFKB1
SCHEMBL5025688 0.72 LMNA (0.43) LMNARAB9ANPC1KDM4ENFKB1
SCHEMBL5022622 0.66 MEN1 (0.38) LMNAKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL13201225 0.66 FPR3 (0.42) LMNANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL13201270 0.64 SMN1; SMN2 (0.43) LMNARAB9ANPC1KDM4ENFKB1
SCHEMBL13201242 0.63 FPR3 (0.40) LMNANPC1SMN1; SMN2GAAPOLB
SCHEMBL15190251 0.62 ALDH1A1 (0.56) LMNARAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL5023775 0.61 DRD2 (0.37) RAB9ANPC1DRD3MEN1KMT2A

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
EP-1632483-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2008-10-29 EP claimed