SCHEMBL5012833

SCHEMBL5012833

CSc1ccc(NC(=O)ON2CCC3(CC2)CC(c2ccc(C(C)(C)C)cc2)=NO3)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
KIF11 P52732 1/20 0.34
FPR2 P25090 2/20 0.34
MAPT P10636 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
MIF P14174 1/20 0.33
TRPV1 Q8NER1 2/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
PTGS2 P35354 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5012817 0.94 FAAH (0.39) FAAHKIF11MAPTLMNAMIF
SCHEMBL5012289 0.92 EPHX2 (0.36) FAAHKIF11MAPTTRPV1EPHX2
SCHEMBL5012960 0.90 KMT2A (0.38) FPR2MAPTRXFP1PTGS2KMT2A
SCHEMBL5012959 0.90 KMT2A (0.39) FAAHKIF11MAPTLMNATRPV1
SCHEMBL5014386 0.90 KMT2A (0.39) FAAHKIF11MAPTLMNATRPV1
SCHEMBL5011293 0.90 NR1H4 (0.41) MAPTLMNANR1H4POLBHTT
SCHEMBL5012848 0.89 FAAH (0.42) FAAHKIF11MAPTTRPV1NPSR1
SCHEMBL5014417 0.89 TRPV1 (0.41) FAAHMAPTTRPV1EPHX2
SCHEMBL5015689 0.89 KMT2A (0.43) FAAHKIF11MAPTLMNANPSR1
SCHEMBL5012223 0.89 TRPV1 (0.41) FAAHMAPTTRPV1EPHX2

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