SCHEMBL5011295

SCHEMBL5011295

O=C(Nc1cccc(C(F)(F)F)c1)ON1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
FAAH O00519 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MGLL Q99685 3/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
GPR142 Q7Z601 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
EPHX2 P34913 2/20 0.38

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
SCHEMBL5012924 0.95 GRIN2B (0.42) MAPTGAAFAAHTRPV1LMNA
SCHEMBL5011313 0.94 MAPT (0.46) MAPTGAAFAAHTRPV1LMNA
SCHEMBL16175513 0.94 UBE2M (0.42) MAPTGAAFAAHTRPV1LMNA
SCHEMBL16175371 0.94 UBE2M (0.43) MAPTGAAFAAHTRPV1KDM4E
SCHEMBL16175512 0.93 MTOR (0.43) MGLLSMN1; SMN2EPHX2
SCHEMBL5015744 0.92 MGLL (0.39) MAPTGAAFAAHTRPV1MGLL
SCHEMBL5012278 0.92 KMT2A (0.39) MAPTMGLLRAB9AF2F10
SCHEMBL5012723 0.92 MAPT (0.44) MAPTMGLLMEN1RECQLKMT2A
SCHEMBL5014396 0.92 FAAH (0.41) FAAHTRPV1MGLLRAB9AF2
SCHEMBL5015806 0.91 TRPM8 (0.40) FAAHTRPV1F2F10PRSS1

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