SCHEMBL7593340

SCHEMBL7593340

Cn1cc(CC(N)=O)c2ccc(N3CCOCC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
PRKDC P78527 2/20 0.42
LRRK2 Q5S007 3/20 0.41
CSF1R P07333 1/20 0.41
PDGFRA P16234 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
GSK3B P49841 1/20 0.39
AKR1A1 P14550 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
SCHEMBL7528351 0.89 MAPT (0.46) MAPTLMNAMAPK1HTTGAA
SCHEMBL7591435 0.86 MAPT (0.49) MAPTLMNAMAPK1HTTHRH3
SCHEMBL18029112 0.82 PTGS2 (0.50) MAPTLMNAMAPK1HTTHRH3
Hydrochloric Acid SCHEMBL7991037 0.78 HRH3 (0.40) MAPTLMNAMAPK1HTTHRH3
SCHEMBL7976440 0.78 LMNA (0.46) MAPTLMNAMAPK1HTTNPC1
SCHEMBL7591001 0.76 PRKDC (0.47) MAPTLMNAMAPK1PRKDCNPC1
SCHEMBL20119973 0.75 LMNA (0.43) MAPTLMNAMAPK1HTTPRKDC
SCHEMBL7524516 0.75 MAPT (0.44) MAPTLMNAMAPK1HTTNPC1
SCHEMBL7526498 0.73 CYP3A4 (0.42) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL19871247 0.73 PTGS2 (0.48) MAPTLMNAMAPK1HTTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242409-A2 SUBSTITUTED BISINDOLYLMALEIMIDES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2001046178-A2 SUBSTITUIERTE BISINDOLYMALEIMIDE F. HOFFMANN-LA ROCHE AG (CH) 2001-06-28 WO disclosed