SCHEMBL17594489

SCHEMBL17594489

CN(C(=O)c1ccon1)C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CHRNA4 P43681 2/20 0.42
S1PR1 P21453 1/20 0.41
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 1/20 0.38
KCNH2 Q12809 1/20 0.38
PLAT P00750 2/20 0.35
PAK4 O96013 1/20 0.35
CHRM1 P11229 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL31738006 0.72 SLC6A4 (0.39) NPC1RAB9AS1PR1SLC6A4SLC6A2
SCHEMBL2362735 0.72 CHRNA4 (0.39) NPC1RAB9ACHRNA4HPGDMEN1
SCHEMBL18167996 0.72 ALDH1A1 (0.56) NPC1RAB9ASLC6A4SLC6A2KCNH2
SCHEMBL31738175 0.71 KDM4E (0.40) NPC1RAB9AS1PR1SLC6A4SLC6A2
SCHEMBL3809371 0.71 SLC6A4 (0.51) SLC6A4SLC6A2KCNH2HPGDTSHR
SCHEMBL14611173 0.71 MGLL (0.41) NPC1RAB9AKCNH2MEN1KMT2A
SCHEMBL17594578 0.70 S1PR1 (0.41) CHRNA4S1PR1SLC6A4SLC6A2MEN1
SCHEMBL562320 0.70 POLB (0.53) NPC1RAB9ASLC6A4SLC6A2KCNH2
SCHEMBL8366263 0.70 MEN1 (0.55) NPC1RAB9AS1PR1SLC6A4SLC6A2
SCHEMBL28630966 0.70 POLB (0.46) NPC1RAB9ASLC6A4SLC6A2KCNH2

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-3193603-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. (US) 2017-07-26 EP disclosed
WO-2016040498-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. (US) 2016-03-17 WO disclosed