SCHEMBL5012897

SCHEMBL5012897

O=C(NC1CCCCC1)ON1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.42
EPHX2 P34913 1/20 0.39
HDAC4 P56524 1/20 0.38
FAAH O00519 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5014508 0.91 EPHX2 (0.41) EPHX2FAAHMEN1HTTKMT2A
SCHEMBL5011104 0.89 LMNA (0.43) TRPV1EPHX2HDAC4MEN1LMNA
SCHEMBL5012863 0.89 LMNA (0.43) TRPV1EPHX2HDAC4MEN1LMNA
SCHEMBL5012908 0.88 LMNA (0.42) TRPV1EPHX2MEN1LMNAHTT
SCHEMBL5015753 0.87 RAB9A (0.41) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL5015826 0.87 FAAH (0.42) FAAHLMNAHTTKMT2ASMN1; SMN2
SCHEMBL5012834 0.87 ALDH1A1 (0.45) FAAHHTT
SCHEMBL5117469 0.87 TRPV1 (0.44) TRPV1EPHX2LMNA
SCHEMBL5015806 0.84 TRPM8 (0.40) TRPV1EPHX2FAAH
SCHEMBL5130209 0.83 MAPT (0.47) TRPV1MEN1LMNAHTTKMT2A

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