SCHEMBL5022622

SCHEMBL5022622

Cn1nc(C2CCN(C[C@H]3C[C@H]3OC(=O)NCCCn3ccnc3)CC2)c2cccc(C(F)(F)F)c21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL13201108 0.88 LMNA (0.38) MEN1LMNAL3MBTL1KDM4ESMN1; SMN2
SCHEMBL5023358 0.81 NAMPT (0.37) MEN1SMN1; SMN2TSHRKMT2AALDH1A1
SCHEMBL5016836 0.76 L3MBTL1 (0.36) MEN1LMNAL3MBTL1KDM4ESMN1; SMN2
SCHEMBL13523826 0.74 RBP4 (0.41)
SCHEMBL3047511 0.74 RBP4 (0.41)
SCHEMBL13201225 0.68 FPR3 (0.42) MEN1LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL3047512 0.67 RBP4 (0.41)
SCHEMBL5458110 0.66 RBP4 (0.41)
SCHEMBL5023849 0.66 LMNA (0.40) MEN1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL2959095 0.66 RBP4 (0.48) LMNAKDM4EMAPT

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