SCHEMBL5015690

SCHEMBL5015690

CCc1ccccc1NC(=O)ON1CCC2(CC1)CC(c1cccc(OC)c1)=NO2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 1/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR3 P51677 2/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 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
SCHEMBL16175676 0.94 CCR3 (0.41) GRK2LMNATDP1MAPTNPC1
SCHEMBL5012827 0.90 KMT2A (0.42) BCHEACHEMEN1KMT2AHTT
SCHEMBL5012197 0.90 TDP1 (0.42) GRK2LMNATDP1MAPTNPC1
SCHEMBL5012864 0.90 MAPT (0.44) LMNATDP1MAPTNPC1MEN1
SCHEMBL16175733 0.89 LMNA (0.45) LMNATDP1MAPTMEN1KMT2A
SCHEMBL5015815 0.89 RAB9A (0.46) LMNATDP1MAPTNPC1MEN1
SCHEMBL16175520 0.89 HTT (0.43) GRK2LMNATDP1MAPTNPC1
SCHEMBL5015860 0.88 CYP1A2 (0.42) LMNATDP1MEN1THRBKMT2A
SCHEMBL5014393 0.88 LMNA (0.54) GRK2LMNATDP1MAPTNPC1
SCHEMBL5124347 0.88 NPY5R (0.49) GRK2LMNATDP1MAPTNPC1

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