SCHEMBL5777700

SCHEMBL5777700

O=C(NCCCC1CN(C(c2ccccc2)c2ccccc2)C1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NAMPT P43490 1/20 0.38
SLC6A9 P48067 1/20 0.38
NQO2 P16083 1/20 0.38

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
SCHEMBL5074958 0.78 KMT2A (0.44) KMT2AMEN1CNR1CNR2DRD2
SCHEMBL5778156 0.73 ACHE (0.39) KMT2AMEN1CNR1CNR2ACHE
SCHEMBL5283241 0.73 DPP4 (0.41) KMT2AMEN1DRD3SLC6A9
SCHEMBL5466820 0.72 ACHE (0.42) ACHEALDH1A1MAPTL3MBTL1
SCHEMBL6154961 0.72 CNR1 (0.67) CNR1CNR2MTNR1AMTNR1B
SCHEMBL5969167 0.72 MEN1 (0.43) KMT2AMEN1CNR1CNR2DRD2
SCHEMBL1221931 0.72 SLC6A9 (0.46) KMT2AMEN1CNR1CNR2ALDH1A1
SCHEMBL5275770 0.71 MEN1 (0.41) KMT2AMEN1CNR1CNR2DRD2
SCHEMBL13596965 0.71 DPP4 (0.58) KMT2AMEN1CNR1CNR2DRD3
SCHEMBL5278935 0.71 DPP4 (0.42) KMT2AMEN1DRD3L3MBTL1SLC6A9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed