SCHEMBL4754252

SCHEMBL4754252

CC(C)COCC(O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.68
MAPT P10636 6/20 0.62
LMNA P02545 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HSD17B10 Q99714 2/20 0.62
CACNA1G O43497 3/20 0.60
KCNH2 Q12809 1/20 0.60
IGF1R P08069 1/20 0.57
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALOX15 P16050 2/20 0.52
TP53 P04637 2/20 0.52
GLA P06280 1/20 0.52
ALOX12 P18054 1/20 0.52
TSHR P16473 2/20 0.50

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
SCHEMBL14355261 0.87 CACNA1G (0.67) GAAMAPTLMNASMN1; SMN2HSD17B10
SCHEMBL11460456 0.86 IGF1R (0.70) GAAMAPTLMNASMN1; SMN2HSD17B10
SCHEMBL13875132 0.85 IGF1R (0.65) GAAMAPTLMNASMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL8576435 0.82 IGF1R (0.65) GAAMAPTLMNASMN1; SMN2HSD17B10
SCHEMBL11465764 0.82 IGF1R (0.65) GAAMAPTLMNASMN1; SMN2HSD17B10
SCHEMBL2017995 0.81 MAPT (0.74) GAAMAPTLMNASMN1; SMN2HSD17B10
SCHEMBL2017996 0.81 MAPT (0.74) GAAMAPTLMNASMN1; SMN2HSD17B10
SCHEMBL2017993 0.81 MAPT (0.74) GAAMAPTLMNASMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL11723131 0.80 IGF1R (0.57) GAAMAPTLMNASMN1; SMN2HSD17B10
SCHEMBL4037828 0.78 IGF1R (0.60) GAAMAPTLMNASMN1; SMN2IGF1R

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