SCHEMBL19669682

SCHEMBL19669682

C(=C/c1cnc2ccccc2n1)\CCc1cn2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.65
SMN1; SMN2 Q16637 10/20 0.54
NPC1 O15118 10/20 0.54
RAB9A P51151 10/20 0.54
TP53 P04637 2/20 0.41
MAPK1 P28482 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 2/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL21323873 0.88 PDE10A (0.61) PDE10ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL7457993 0.79 PDE10A (1.00) PDE10ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL15033460 0.79 PDE10A (0.55) PDE10ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL21323866 0.74 PDE10A (0.65) PDE10ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL24113694 0.68 PDE10A (0.61) PDE10ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL7981713 0.67 PDE10A (0.59) PDE10ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL2732396 0.67 PDE10A (0.59) PDE10ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL6847686 0.67 RHOA (0.55) PDE10ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7834962 0.67 PDE10A (0.59) PDE10ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL9971243 0.67 PDE10A (0.59) PDE10ASMN1; SMN2NPC1RAB9ATP53

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
US-9834564-B2 Substituted quinolines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-12-05 US disclosed