SCHEMBL4752756

SCHEMBL4752756

CC(C)Cn1cc(C(=O)N2CCN(c3ccccc3)CC2)c2c3ccccc3n(C)c2c1=O

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.84
SMN1; SMN2 Q16637 3/20 0.84
TP53 P04637 3/20 0.84
HSD17B10 Q99714 9/20 0.79
ALDH1A1 P00352 10/20 0.76
KDM4E B2RXH2 10/20 0.76
HPGD P15428 8/20 0.76
GAA P10253 7/20 0.76
MAPK1 P28482 3/20 0.76
NPSR1 Q6W5P4 3/20 0.76
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
GLA P06280 4/20 0.70
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.58
ATM Q13315 1/20 0.58
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL4753357 0.93 MAPT (0.81) MAPTSMN1; SMN2TP53HSD17B10ALDH1A1
SCHEMBL4753163 0.87 HSD17B10 (0.74) MAPTSMN1; SMN2TP53HSD17B10ALDH1A1
SCHEMBL4902410 0.79 HSD17B10 (0.77) MAPTSMN1; SMN2TP53HSD17B10ALDH1A1
SCHEMBL13362284 0.73 HSD17B10 (0.59) MAPTSMN1; SMN2TP53HSD17B10ALDH1A1
SCHEMBL10073027 0.73 HSD17B10 (0.58) MAPTSMN1; SMN2TP53HSD17B10ALDH1A1
SCHEMBL4954775 0.68 HPGD (0.53) MAPTSMN1; SMN2TP53HSD17B10ALDH1A1
SCHEMBL18832845 0.67 MAPT (1.00) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL16311097 0.65 TSHR (0.68) MAPTSMN1; SMN2TP53HSD17B10ALDH1A1
SCHEMBL10724385 0.65 ALDH1A1 (1.00) MAPTSMN1; SMN2TP53HSD17B10ALDH1A1
SCHEMBL23244275 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