SCHEMBL5012234

SCHEMBL5012234

S=C(NC1CCCC1)ON1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALOX12 P18054 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 5/20 0.38
NPC1 O15118 4/20 0.38
MEN1 O00255 4/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
CNR1 P21554 2/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 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
SCHEMBL5015769 0.99 LMNA (0.41) LMNAALOX12NPSR1KMT2ANPC1
SCHEMBL5012168 0.99 LMNA (0.41) LMNAALOX12NPSR1KMT2ANPC1
SCHEMBL5011473 0.90 NPC1 (0.39) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL5054417 0.89 NPC1 (0.39) LMNANPSR1KMT2ANPC1MEN1
SCHEMBL5012874 0.89 NPC1 (0.39) LMNANPSR1KMT2ANPC1MEN1
SCHEMBL5012242 0.89 CHRNB4 (0.39) LMNAALOX12KMT2ANPC1MEN1
SCHEMBL5014462 0.89 CHRNB4 (0.39) LMNAALOX12KMT2ANPC1MEN1
SCHEMBL5012908 0.87 LMNA (0.42) LMNAALOX12KMT2AMEN1RAB9A
SCHEMBL5012291 0.87 LMNA (0.38) LMNAALOX12NPSR1KMT2ANPC1
SCHEMBL5015826 0.87 FAAH (0.42) LMNAKMT2ANPC1RAB9AMAPT

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