SCHEMBL3944322

SCHEMBL3944322

N#Cc1ccc(C(O)CNC=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.41
FAAH O00519 3/20 0.40
ADRB3 P13945 3/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP2 P08253 2/20 0.37
HTT P42858 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL13891217 0.81 F2R (0.41) F2RKDM4EL3MBTL1MMP2HTT
SCHEMBL3443638 0.79 HIF1A (0.58) ADRB3ADRB2ADRB1KDM4EL3MBTL1
SCHEMBL9647484 0.78 HIF1A (0.49) F2RFAAHADRB3ADRB2ADRB1
SCHEMBL3443553 0.77 AOC3 (0.43) ADRB3ADRB2KDM4EL3MBTL1MEN1
SCHEMBL3944328 0.77 KDM4E (0.61) F2RFAAHADRB3ADRB2ADRB1
SCHEMBL3950247 0.77 AOC3 (0.43) ADRB2KDM4EL3MBTL1GAAALDH1A1
SCHEMBL5076851 0.77 KDM4E (0.67) KDM4EL3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2673557 0.77 KDM4E (0.67) KDM4EL3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5073667 0.77 KDM4E (0.67) KDM4EL3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11980400 0.74 CA12 (0.43) F2RFAAHKDM4EL3MBTL1GRIA1

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-1718632-B1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-04-22 EP claimed