SCHEMBL10290992

SCHEMBL10290992

Cc1csc(CNC2CCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 3/20 0.38
SLC5A7 Q9GZV3 1/20 0.35
SMO Q99835 1/20 0.35
OPRL1 P41146 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRM5 P41594 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6467142 0.97 PDE10A (0.49) PDE10AMAPTHPGDALDH1A1KDM4E
SCHEMBL3506829 0.93 PDE10A (0.51) PDE10AMAPTHPGDALDH1A1KDM4E
SCHEMBL15105014 0.80 ALDH1A1 (0.35) PDE10AMAPTALDH1A1KDM4ENPC1
SCHEMBL166920 0.74
SCHEMBL6646933 0.74 NPC1 (0.43) PDE10AMAPTHPGDALDH1A1KDM4E
SCHEMBL4173347 0.72 PDE10A (0.36) PDE10ARAB9AKCNH2HRH3TSHR
SCHEMBL4064733 0.72 SMO (0.49) PDE10ANPC1RAB9ASMOSMN1; SMN2
SCHEMBL3508532 0.72 PDE10A (0.40) PDE10AMAPTHPGDALDH1A1NPC1
SCHEMBL8345825 0.70 RAB9A (0.51) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL5516961 0.70 PDE10A (0.40) PDE10AMAPTALDH1A1NPC1RAB9A

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-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed