SCHEMBL5012242

SCHEMBL5012242

S=C(NC1CCCCCCC1)ON1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
LMNA P02545 6/20 0.37
ALOX12 P18054 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 3/20 0.36
HTT P42858 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK10 P53779 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5014462 1.00 CHRNB4 (0.39) CHRNB4CHRNA3LMNAALOX12SMN1; SMN2
SCHEMBL5012168 0.90 LMNA (0.41) LMNAALOX12SMN1; SMN2RAB9ANPC1
SCHEMBL5054417 0.90 NPC1 (0.39) LMNASMN1; SMN2RAB9ANPC1GAA
SCHEMBL5012874 0.90 NPC1 (0.39) LMNASMN1; SMN2RAB9ANPC1GAA
SCHEMBL5015769 0.90 LMNA (0.41) LMNAALOX12SMN1; SMN2RAB9ANPC1
SCHEMBL5012234 0.89 LMNA (0.39) LMNAALOX12RAB9ANPC1GAA
SCHEMBL5011473 0.89 NPC1 (0.39) LMNASMN1; SMN2RAB9ANPC1GAA
SCHEMBL5015742 0.88 ALDH1A1 (0.52) LMNASMN1; SMN2RAB9ANPC1GAA
SCHEMBL5012835 0.88 ALDH1A1 (0.52) LMNASMN1; SMN2RAB9ANPC1GAA
SCHEMBL5012834 0.88 ALDH1A1 (0.45) RAB9AHTTALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed