SCHEMBL5065032

SCHEMBL5065032

CCc1ccccc1NC(=O)ON1CCC2(CC1)CC(c1ccc(C)cc1)=NO2

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.41
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39

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
SCHEMBL5011273 0.94 KMT2A (0.42) KMT2AMEN1
SCHEMBL5012827 0.93 KMT2A (0.42) KMT2AMEN1BCHEACHE
SCHEMBL16175665 0.92 ALDH1A1 (0.40) KMT2ABCHEACHE
SCHEMBL5015747 0.90 CHRM3 (0.40) KMT2AMEN1BCHEACHE
SCHEMBL5014388 0.90 KMT2A (0.43) KMT2ABCHEACHE
SCHEMBL5014467 0.89 CHRM3 (0.41) KMT2ABCHEACHE
SCHEMBL16175752 0.88 KMT2A (0.42) KMT2AMEN1
SCHEMBL5012967 0.88 KMT2A (0.42) KMT2AMEN1
SCHEMBL5012923 0.88 KMT2A (0.46) KMT2A
SCHEMBL5012917 0.87 KMT2A (0.42) KMT2AMEN1

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