SCHEMBL5012244

SCHEMBL5012244

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.39
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34
MIF P14174 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL5015747 0.94 CHRM3 (0.40) CHRM3KMT2AMAPTMIF
SCHEMBL5012927 0.93 CHRM3 (0.40) CHRM3KMT2A
SCHEMBL5015740 0.91 KMT2A (0.40) CHRM3KMT2AL3MBTL1
SCHEMBL5011273 0.91 KMT2A (0.42) KMT2ASMN1; SMN2L3MBTL1
SCHEMBL16175710 0.90 ALDH1A1 (0.39) CHRM3KMT2AALDH1A1MAPK1
SCHEMBL5130944 0.87 KMT2A (0.37) KMT2AALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL5014557 0.87 CHRM3 (0.40) CHRM3KMT2AMAPTMIF
SCHEMBL5014371 0.86 CHRM3 (0.38) CHRM3KMT2ALMNAMIF
SCHEMBL5014467 0.86 CHRM3 (0.41) CHRM3KMT2A
SCHEMBL5014339 0.86 KMT2A (0.39) CHRM3KMT2AMIFL3MBTL1

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