SCHEMBL3455980

SCHEMBL3455980

CC(C)(C)OC(=O)Nc1ccc(N2CCc3c(n[nH]c3C(=O)O)C2)nc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.39
DDB1 Q16531 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.37
WNT3A P56704 1/20 0.36
DRD2 P14416 1/20 0.35
LIPE Q05469 1/20 0.35
BCL2 P10415 1/20 0.35
NAMPT P43490 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 2/20 0.35
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL3456217 0.92 CRBN (0.39) CRBNDDB1TRPV1MAPTALDH1A1
SCHEMBL5067941 0.89 TRPV1 (0.38) CRBNDDB1TRPV1MAPTALDH1A1
SCHEMBL1984304 0.74 TRPV1 (0.57) CRBNDDB1TRPV1MAPTALDH1A1
SCHEMBL29301634 0.72 MAPT (0.61) MAPTWNT3ASMN1; SMN2RAB9ACYP1A2
SCHEMBL9909938 0.71 CNR2 (0.43) CRBNDDB1TRPV1MAPTALDH1A1
SCHEMBL9909937 0.69 NAMPT (0.49) TRPV1MAPTALDH1A1WNT3ABCL2
SCHEMBL3455945 0.68 KDR (0.44) MAPTALDH1A1KDM4E
SCHEMBL1734048 0.66 P4HTM (0.54) KDM4ENAMPTL3MBTL1
SCHEMBL29929054 0.66 P4HTM (0.54) KDM4ENAMPTL3MBTL1
SCHEMBL9909935 0.65 NAMPT (0.42) MAPTALDH1A1KDM4EWNT3ABCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
EP-1646632-A2 SUBSTITUTED TETRAHYDRO-1 I H /I -PYRAZOLO 3,4-C|PYRIDINES, COMPOSITIONS CONTAINING SAME AND USE Aventis Pharma S.A. (FR) 2006-04-19 EP disclosed
WO-2005007653-A2 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINES, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA S.A. (FR) 2005-01-27 WO disclosed