SCHEMBL5016836

SCHEMBL5016836

O=C(NCCCn1ccnc1)O[C@@H]1C[C@@H]1CN1CCC(c2nn(CC(F)(F)F)c3ccsc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 2/20 0.34
FPR3 P25089 3/20 0.34
FPR2 P25090 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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 0.89 NAMPT (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13201242 0.88 FPR3 (0.40) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL13201225 0.76 FPR3 (0.42) LMNAMEN1FPR3FPR2SMN1; SMN2
SCHEMBL5022622 0.76 MEN1 (0.38) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL5023849 0.76 LMNA (0.40) LMNAMEN1TSHRFPR3FPR2
SCHEMBL13201237 0.74 CCR5 (0.36)
SCHEMBL14468476 0.71 FPR3 (0.38) L3MBTL1LMNAMEN1FPR3FPR2
SCHEMBL13201260 0.69 LMNA (0.42) L3MBTL1LMNAMEN1FPR3FPR2
SCHEMBL14048525 0.69 LMNA (0.36) L3MBTL1LMNAMEN1TSHRFPR3
SCHEMBL5025688 0.67 LMNA (0.43) L3MBTL1LMNASMN1; SMN2MAPK1POLB

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