SCHEMBL534926

SCHEMBL534926

N#Cc1cccc(CNCCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.53
FFAR4 Q5NUL3 1/20 0.53
DPP7 Q9UHL4 1/20 0.53
SCN8A Q9UQD0 1/20 0.52
VNN1 O95497 4/20 0.50
MEP1A Q16819 1/20 0.50
MEP1B Q16820 1/20 0.50
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
NOS1 P29475 1/20 0.48
LMNA P02545 1/20 0.48
CNR1 P21554 1/20 0.47
FOLH1 Q04609 1/20 0.47
MAOA P21397 2/20 0.45
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
PIN1 Q13526 1/20 0.45

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
SCHEMBL2774523 0.88 FFAR1 (0.52) FFAR1FFAR4DPP7SCN8AVNN1
SCHEMBL410123 0.81 SCN8A (0.57) DPP7SCN8AVNN1MEP1AMEP1B
SCHEMBL406503 0.80 SCN8A (0.51) FFAR1FFAR4DPP7SCN8AVNN1
SCHEMBL3491515 0.80 FFAR1 (0.72) FFAR1FFAR4LMNACNR1
SCHEMBL3197343 0.78 SLC2A4 (0.53) LMNAFOLH1
SCHEMBL3461756 0.78 ERCC1 (0.60) FFAR1FFAR4VNN1MEP1AMEP1B
SCHEMBL2224632 0.77 MEN1 (0.64) FFAR1FFAR4FOLH1MAOA
SCHEMBL3206273 0.77 S1PR5 (0.47) FOLH1
SCHEMBL5474619 0.77 NAMPT (0.47) FFAR1FOLH1MAOAMAOB
SCHEMBL5939993 0.77 CHRM2 (0.63) LMNAFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed