SCHEMBL7043434

SCHEMBL7043434

CC(C)(C)OC(=O)N1CCCC[C@H]1C=N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.44
EPHX1 P07099 1/20 0.42
PREP P48147 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PDE8B O95263 1/20 0.38

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
SCHEMBL17244010 0.95 HSD17B10 (0.49) HSD17B10HPGDEPHX1SMN1; SMN2NPC1
SCHEMBL1991179 0.87 HSD17B10 (0.45) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL2896341 0.87 HSD17B10 (0.45) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL1991177 0.87 HSD17B10 (0.45) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL31336384 0.86 HPGD (0.47) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL31148623 0.86 HSD17B10 (0.44) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL17770867 0.86 HSD17B10 (0.44) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL14398395 0.86 HPGD (0.47) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL2689039 0.86 HSD17B10 (0.44) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL25980668 0.86 HPGD (0.47) HSD17B10HPGDEPHX1PREPSMN1; SMN2

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-3052497-B1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE WOCKHARDT LTD (IN) 2017-06-28 EP disclosed
EP-1385845-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2004-02-04 EP disclosed
WO-2002090355-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 WO disclosed