SCHEMBL8776613

SCHEMBL8776613

CC(C)(C)OC(=O)N1CCCCC1N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.40
PARP1 P09874 1/20 0.39
EPHX1 P07099 1/20 0.39
PREP P48147 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
UCHL1 P09936 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
Hydrochloric Acid SCHEMBL8776634 0.99 HSD17B10 (0.40) HSD17B10HPGDPARP1EPHX1PREP
SCHEMBL30722449 0.90 PARP1 (0.39) HSD17B10HPGDPARP1EPHX1SMN1; SMN2
SCHEMBL31411007 0.83 USP2 (0.50) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL31473115 0.82 HPGD (0.46) HSD17B10HPGDEPHX1PREPSMN1; SMN2
Hydrochloric Acid SCHEMBL8805314 0.80 PARP1 (0.44) HSD17B10HPGDPARP1EPHX1SMN1; SMN2
SCHEMBL3153297 0.79 CHRM5 (0.39)
SCHEMBL13994307 0.78 HSD17B10 (0.64) HSD17B10HPGDPREPSMN1; SMN2NPC1
SCHEMBL8485936 0.78 HSD17B10 (0.38) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL30032926 0.77 NR1H2 (0.43) HSD17B10HPGDEPHX1PREPNPC1
SCHEMBL30165850 0.77 HSD17B10 (0.39) HSD17B10HPGDEPHX1NPC1ALDH1A1

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
EP-0799202-A1 PIPERAZINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME, THEIR USE AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1997-10-08 EP disclosed
WO-1996020173-A1 PIPERAZINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME, THEIR USE AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1996-07-04 WO disclosed