SCHEMBL4607927

SCHEMBL4607927

CCCCCc1nnc(N2CCCCC2)o1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ NPY5R Q15761 2/20 0.36
▸ HRH3 Q9Y5N1 6/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL1063939 0.74 MAPT (0.52) MAPTL3MBTL1NPC1RAB9AMEN1
SCHEMBL2208379 0.72 HPGD (0.39) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL29713365 0.67 MAPT (0.45) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL14489684 0.66 MAPT (0.48) MAPTMEN1KMT2ALMNAPKM
SCHEMBL971931 0.66 MAPT (0.44) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL28300320 0.66 MAPT (0.44) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL1168449 0.66 TSHR (0.54) MAPTHRH3RAB9AMEN1KMT2A
SCHEMBL21217064 0.66 MAPT (0.48) MAPTMEN1KMT2ALMNAPKM
SCHEMBL21210733 0.66 MAPT (0.48) MAPTMEN1KMT2ALMNAPKM
SCHEMBL13285783 0.65 RIPK1 (0.38) MAPTNPC1RAB9AKDM4EALDH1A1

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
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 — — US disclosed
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 — — EP disclosed
EP-1406897-A2 COMPOUNDS SmithKline Beecham plc (GB) 2004-04-14 — — EP disclosed
WO-2003002559-A2 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 — — WO disclosed
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