SCHEMBL6205464

SCHEMBL6205464

O=C(NC1CCCC1)c1cnc2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HTT P42858 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAOB P27338 1/20 0.52
PTK2 Q05397 1/20 0.51

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
SCHEMBL6084329 0.99 CNR1 (0.60) CNR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6083987 0.99 CNR1 (0.60) CNR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6083620 0.87 RAB9A (0.53) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL6083629 0.87 RAB9A (0.53) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL21490057 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL19701371 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL6085524 0.87 RAB9A (0.53) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL6084495 0.86 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL6085889 0.86 GRM5 (0.52) CNR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6083442 0.85 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003500480-A 2003-01-07 JP claimed
CN-1361768-A Metabotropic glutamate receptor antagonists and their use for treating central nervous system disorders NPS PHARMA INC (US) 2002-07-31 CN claimed
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 EP claimed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 WO claimed
CN-1789246-A Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMA INC (US) 2006-06-21 CN disclosed
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP disclosed
CN-1361768-A Metabotropic glutamate receptor antagonists and their use for treating central nervous system disorders NPS PHARMA INC (US) 2002-07-31 CN disclosed
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 EP disclosed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 WO disclosed