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SCHEMBL4050207

SCHEMBL4050207

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

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 9/20 0.70
▸ CNR2 P34972 7/20 0.70
▸ CFD P00746 3/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HSD17B10 Q99714 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
SCHEMBL13691111 1.00 CNR1 (0.70) CNR1CNR2CFDNPC1GAA
SCHEMBL4053696 0.88 CNR1 (0.55) CNR1CNR2CFDNPC1GAA
SCHEMBL4048491 0.87 CNR1 (0.72) CNR1CNR2CFDKDM4E
SCHEMBL13690950 0.85 CNR1 (0.70) CNR1CNR2CFDKDM4E
SCHEMBL4051263 0.85 CNR1 (0.52) CNR1CNR2CFDNPC1GAA
SCHEMBL4060702 0.85 CNR1 (0.52) CNR1CNR2CFDGAAALDH1A1
SCHEMBL13690955 0.85 CNR1 (0.52) CNR1CNR2CFDNPC1GAA
SCHEMBL30445619 0.83 CNR1 (0.72) CNR1CNR2ALDH1A1
SCHEMBL12884888 0.83 CNR1 (0.72) CNR1CNR2ALDH1A1
SCHEMBL30609587 0.82 CNR1 (1.00) CNR1CNR2KDM4E

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