SCHEMBL8339904

SCHEMBL8339904

Cn1nccc1C(=O)N[C@@H](CC1CCCC1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 4/20 0.45
MAPK14 Q16539 4/20 0.45
CNR2 P34972 6/20 0.44
CNR1 P21554 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
CTSS P25774 1/20 0.42
F2RL1 P55085 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGDS O60760 1/20 0.41
MBOAT4 Q96T53 1/20 0.41

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
SCHEMBL8336645 0.99 MAPK11 (0.47) MAPK11MAPK14CNR2CNR1KMT2A
SCHEMBL20588999 0.78 CTSS (0.50) KMT2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL24076112 0.76 KMT2A (0.59) KMT2AL3MBTL1ALDH1A1RAB9ATSHR
SCHEMBL31028315 0.76 KMT2A (0.45) KMT2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL8336585 0.76 F2RL1 (0.66) CNR2CNR1F2RL1
SCHEMBL8338299 0.75 SMYD3 (0.47) MAPK11MAPK14CNR2CNR1HPGDS
SCHEMBL21162958 0.75 F2RL1 (0.68) F2RL1
SCHEMBL21162774 0.75 F2RL1 (0.68) F2RL1
SCHEMBL24072345 0.75 KMT2A (0.61) CNR1KMT2AL3MBTL1RAB9A
SCHEMBL22338792 0.75 KMT2A (0.61) CNR1KMT2AL3MBTL1RAB9A

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