SCHEMBL1376448

SCHEMBL1376448

CCCCC(=O)Nc1ccc(N2CCOCC2=O)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
NPC1 O15118 3/20 0.52
TP53 P04637 2/20 0.52
TSHR P16473 1/20 0.52
F10 P00742 4/20 0.51
SHMT2 P34897 1/20 0.51
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CNR1 P21554 2/20 0.44
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL5873331 0.88 F10 (0.55) RAB9ANPC1TP53TSHRF10
SCHEMBL1380098 0.87 F10 (0.53) RAB9ANPC1F10L3MBTL1MAPT
SCHEMBL1377310 0.87 F10 (0.61) RAB9ANPC1F10L3MBTL1KDM4E
SCHEMBL15546651 0.86 F10 (0.54) RAB9ANPC1F10L3MBTL1MAPT
SCHEMBL6181035 0.82 F10 (0.60) RAB9ANPC1TP53TSHRF10
SCHEMBL1378537 0.80 F10 (0.53) F10
SCHEMBL8315691 0.80 F10 (0.54) RAB9ANPC1TP53TSHRF10
SCHEMBL1377268 0.79 F10 (0.55) TSHRF10
SCHEMBL5625645 0.78 F10 (0.56) F10KDM4E
SCHEMBL5624652 0.78 F10 (0.56) F10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4732757-B2 2011-07-27 JP claimed
JP-2006512321-A 2006-04-13 JP claimed
EP-1562939-A1 CARBOXAMIDES MERCK PATENT GmbH (DE) 2005-08-17 EP claimed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO claimed