SCHEMBL6512014

SCHEMBL6512014

O=C(Nc1cc(F)c(N2CCN(C(=O)OCc3ccccc3)CC2)c(F)c1F)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.47
TGM2 P21980 3/20 0.47
TGM1 P22735 3/20 0.47
HDAC1 Q13547 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP2C19 P33261 1/20 0.43
DPP4 P27487 1/20 0.43
MAPT P10636 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL6509011 0.86 F10 (0.52) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL6517565 0.86 NPC1 (0.44) HDAC1NPC1RAB9ASMN1; SMN2DPP4
SCHEMBL6513454 0.79 MAPT (0.50) F13A1TGM2TGM1MEN1KMT2A
SCHEMBL19212175 0.79 NPSR1 (0.52) F13A1TGM2TGM1HDAC1MEN1
SCHEMBL13756987 0.79 NPSR1 (0.52) F13A1TGM2TGM1HDAC1MEN1
SCHEMBL31639673 0.78 SMN1; SMN2 (0.51) F13A1TGM2TGM1HDAC1MEN1
SCHEMBL1498503 0.78 MAPT (0.53) F13A1TGM2TGM1MEN1KMT2A
SCHEMBL5945165 0.78 MGAT2 (0.43) HDAC1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2449157 0.77 BACE1 (0.50) MEN1KMT2A
SCHEMBL20722397 0.77 MEN1 (0.52) HDAC1MEN1KMT2ANPSR1NPC1

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
WO-2005113520-A1 SUBSTITUTED 2,3,5-TRIFLUORPHENYL OXAZOLIDINONES FOR USE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-12-01 WO disclosed