SCHEMBL4051263

SCHEMBL4051263

CC(C)(C)NC(=O)Cn1nc(C(=O)N[C@H](C(=O)NCCO)C(C)(C)C)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.52
CNR2 P34972 3/20 0.52
CFD P00746 4/20 0.42
F10 P00742 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
HTR3A P46098 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SCN9A Q15858 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL13690955 1.00 CNR1 (0.52) CNR1CNR2CFDF10NPC1
SCHEMBL4053696 0.88 CNR1 (0.55) CNR1CNR2CFDNPC1GAA
SCHEMBL13690593 0.86 CNR1 (0.47) CNR1CNR2CFDF10HTR3A
SCHEMBL4051161 0.86 CNR1 (0.47) CNR1CNR2CFDF10HTR3A
SCHEMBL4050207 0.85 CNR1 (0.70) CNR1CNR2CFDNPC1GAA
SCHEMBL13691111 0.85 CNR1 (0.70) CNR1CNR2CFDNPC1GAA
SCHEMBL4060702 0.85 CNR1 (0.52) CNR1CNR2CFDF10GAA
SCHEMBL4059110 0.84 CNR1 (0.49) CNR1CNR2CFDGAAHTR3A
SCHEMBL4055245 0.84 CNR1 (0.49) CNR1CNR2GAAHTR3A
SCHEMBL13691011 0.84 CNR1 (0.49) CNR1CNR2GAAHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed