SCHEMBL5011273

SCHEMBL5011273

CCCc1ccccc1NC(=O)ON1CCC2(CC1)CC(c1ccc(C)cc1)=NO2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL5015740 0.94 KMT2A (0.40) KMT2AL3MBTL1
SCHEMBL5065032 0.94 KMT2A (0.43) KMT2AMEN1
SCHEMBL16175710 0.92 ALDH1A1 (0.39) KMT2A
SCHEMBL5012244 0.91 CHRM3 (0.39) KMT2AL3MBTL1SMN1; SMN2
SCHEMBL5012927 0.90 CHRM3 (0.40) KMT2A
SCHEMBL5012827 0.87 KMT2A (0.42) KMT2AMEN1SMN1; SMN2
SCHEMBL5014388 0.87 KMT2A (0.43) KMT2A
SCHEMBL5125665 0.86 KMT2A (0.43) KMT2AMEN1
SCHEMBL16175676 0.86 CCR3 (0.41) L3MBTL1NPC1
SCHEMBL16175665 0.86 ALDH1A1 (0.40) KMT2A

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