SCHEMBL8339254

SCHEMBL8339254

NC(=O)[C@H](CC1CCCC1)NC(=O)c1ccccc1-n1cccn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 6/20 0.49
MAPK14 Q16539 6/20 0.49
CAPN1 P07384 3/20 0.46
HCRTR1 O43613 3/20 0.44
OXTR P30559 1/20 0.44
F2RL1 P55085 4/20 0.43
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
HCRTR2 O43614 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HPGDS O60760 1/20 0.40

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
SCHEMBL5983414 0.72 CTSK (0.70)
SCHEMBL8339904 0.71 MAPK11 (0.45) MAPK11MAPK14F2RL1CNR1CNR2
SCHEMBL8336645 0.70 MAPK11 (0.47) MAPK11MAPK14F2RL1MMP1MMP2
SCHEMBL3544059 0.70 NPC1 (0.49) HCRTR1HCRTR2
SCHEMBL8336585 0.69 F2RL1 (0.66) F2RL1CNR1CNR2
SCHEMBL6465448 0.68 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL8338299 0.68 SMYD3 (0.47) MAPK11MAPK14MMP1MMP2MMP3
SCHEMBL8490615 0.68 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL21162958 0.68 F2RL1 (0.68) F2RL1
SCHEMBL21162774 0.68 F2RL1 (0.68) F2RL1

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