SCHEMBL6181035

SCHEMBL6181035

CCCCC(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.60
CNR1 P21554 2/20 0.56
CNR2 P34972 1/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPK1 P28482 1/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL1679321 0.88 F10 (0.65) F10RAB9A
SCHEMBL1379173 0.87 F10 (0.57) F10CNR1MAPTALDH1A1KMT2A
SCHEMBL6179994 0.87 F10 (0.59) F10CNR1
SCHEMBL1380646 0.85 F10 (0.62) F10MAPT
SCHEMBL6182831 0.85 F10 (0.59) F10MAPTNPC1
SCHEMBL1380603 0.85 F10 (0.59) F10ALDH1A1
SCHEMBL1381539 0.85 F10 (0.59) F10ALDH1A1KMT2A
SCHEMBL1382884 0.84 F10 (0.55) F10CNR1MAPTALDH1A1KDM4E
SCHEMBL5873331 0.83 F10 (0.55) F10ALDH1A1NPC1TP53TSHR
SCHEMBL1376448 0.82 RAB9A (0.52) F10CNR1CNR2MAPTALDH1A1

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-1558247-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GmbH (DE) 2005-08-03 EP disclosed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 WO disclosed