SCHEMBL5023358

SCHEMBL5023358

Cn1nc(C2CCN(C[C@H]3C[C@H]3OC(=O)NCCCn3ccnc3)CC2)c2sccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
TSHR P16473 2/20 0.36
FPR3 P25089 2/20 0.36
FPR2 P25090 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5016836 0.89 L3MBTL1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13201225 0.87 FPR3 (0.42) NAMPTFPR3FPR2SMN1; SMN2MEN1
SCHEMBL5022622 0.81 MEN1 (0.38) NAMPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5023849 0.79 LMNA (0.40) NAMPTTSHRFPR3FPR2SMN1; SMN2
SCHEMBL13201242 0.76 FPR3 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13201260 0.72 LMNA (0.42) FPR3FPR2SMN1; SMN2MEN1KMT2A
SCHEMBL3053060 0.72 PDCD1 (0.35) TSHRKMT2AALDH1A1MAPT
SCHEMBL5025688 0.70 LMNA (0.43) NAMPTSMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL5023775 0.68 DRD2 (0.37) MEN1KMT2ANPC1
SCHEMBL13201108 0.68 LMNA (0.38) FPR3FPR2SMN1; SMN2MEN1KMT2A

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