SCHEMBL8336645

SCHEMBL8336645

Cn1nccc1C(=O)N[C@@H](CC1CCCCC1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 4/20 0.47
MAPK14 Q16539 4/20 0.47
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
CTSS P25774 2/20 0.43
F2RL1 P55085 8/20 0.43
HPGDS O60760 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL8339904 0.99 MAPK11 (0.45) MAPK11MAPK14CNR2CNR1CTSS
SCHEMBL20588999 0.80 CTSS (0.50) CTSSKMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL8338299 0.77 SMYD3 (0.47) MAPK11MAPK14CNR2CNR1HPGDS
SCHEMBL24072345 0.76 KMT2A (0.61) CNR1KMT2AL3MBTL1RAB9A
SCHEMBL22338792 0.76 KMT2A (0.61) CNR1KMT2AL3MBTL1RAB9A
SCHEMBL21162774 0.76 F2RL1 (0.68) F2RL1
SCHEMBL21162958 0.76 F2RL1 (0.68) F2RL1
SCHEMBL24076112 0.75 KMT2A (0.59) KMT2AL3MBTL1ALDH1A1RAB9A
SCHEMBL31028315 0.75 KMT2A (0.45) KMT2AL3MBTL1KDM4EALDH1A1GAA
SCHEMBL8336585 0.75 F2RL1 (0.66) CNR2CNR1F2RL1

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
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed