SCHEMBL6896762

SCHEMBL6896762

Cc1c(OC(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.44
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 3/20 0.43
MCHR1 Q99705 2/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 2/20 0.41
ALOX12 P18054 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.39
HPGD P15428 2/20 0.39
BCL2 P10415 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6901971 0.91 MAPT (0.41) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL6897156 0.90 MAPT (0.46) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL6052387 0.88 MAPT (0.47) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL6901821 0.88 MCHR1 (0.44) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL6901950 0.88 MCHR1 (0.44) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL7054601 0.87 MCHR1 (0.43) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL6902524 0.87 MCHR1 (0.46) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL6902620 0.86 MCHR1 (0.42) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL6901688 0.86 MCHR1 (0.46) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL6901167 0.84 MCHR1 (0.44) MAPTSMN1; SMN2MAPK1LMNAMCHR1

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-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed