SCHEMBL6629681

SCHEMBL6629681

O=CCc1cc(F)cc(N2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.44
PIK3CA P42336 5/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
AGXT P21549 1/20 0.39
AKT1 P31749 4/20 0.39
MTOR P42345 3/20 0.39
ACLY P53396 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 3/20 0.38
AKR1C3 P42330 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL23662602 0.81 GPR183 (0.43) GPR183PIK3CAAGXTAKT1MTOR
SCHEMBL1662765 0.81 GPR183 (0.45) GPR183PIK3CAPIK3CBAGXTAKT1
SCHEMBL672007 0.81 GPR183 (0.43) GPR183PIK3CAAGXTAKT1MTOR
SCHEMBL29866545 0.81 GPR183 (0.43) GPR183PIK3CAAGXTAKT1MTOR
SCHEMBL12831239 0.81 KDM4E (0.44) GPR183PIK3CAAGXTAKT1MTOR
SCHEMBL16540072 0.80 ALDH1A1 (0.39) GPR183PIK3CAPIK3CDPRKDCAKT1
SCHEMBL22657488 0.79 AKR1C3 (0.42) GPR183PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3508314 0.79 KDM4E (0.50) GPR183PIK3CAPRKDCACLYKDM4E
SCHEMBL6688959 0.78 GPR183 (0.46) GPR183PIK3CAAGXTAKT1MTOR
SCHEMBL27885766 0.78 GPR183 (0.44) GPR183PIK3CAAGXTAKT1MTOR

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-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed