SCHEMBL4753357

SCHEMBL4753357

CC(C)Cn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2c3ccccc3n(C)c2c1=O

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.81
TP53 P04637 3/20 0.81
SMN1; SMN2 Q16637 3/20 0.76
HSD17B10 Q99714 8/20 0.74
KDM4E B2RXH2 8/20 0.72
ALDH1A1 P00352 8/20 0.72
HPGD P15428 7/20 0.72
GAA P10253 6/20 0.72
MAPK1 P28482 3/20 0.72
NPSR1 Q6W5P4 3/20 0.72
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
LMNA P02545 1/20 0.68
HTT P42858 1/20 0.68
GLA P06280 3/20 0.66
ALOX15 P16050 1/20 0.60
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL4752756 0.93 MAPT (0.84) MAPTTP53SMN1; SMN2HSD17B10KDM4E
SCHEMBL4902410 0.87 HSD17B10 (0.77) MAPTTP53SMN1; SMN2HSD17B10KDM4E
SCHEMBL4753163 0.82 HSD17B10 (0.74) MAPTTP53SMN1; SMN2HSD17B10KDM4E
SCHEMBL13362284 0.71 HSD17B10 (0.59) MAPTTP53SMN1; SMN2HSD17B10KDM4E
SCHEMBL10073027 0.70 HSD17B10 (0.58) MAPTTP53SMN1; SMN2HSD17B10KDM4E
SCHEMBL4954775 0.69 HPGD (0.53) MAPTTP53SMN1; SMN2HSD17B10KDM4E
SCHEMBL29748988 0.65 USP2 (0.76) MAPTTP53SMN1; SMN2HSD17B10KDM4E
SCHEMBL13961792 0.64 TP53 (1.00) MAPTTP53LMNAPOLB
SCHEMBL23244275 0.64 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1
SCHEMBL29576914 0.64 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1

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-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO disclosed