SCHEMBL5014396

SCHEMBL5014396

O=C(Nc1ccccc1)ON1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
TRPM8 Q7Z2W7 7/20 0.40
EPHX2 P34913 2/20 0.40
THRB P10828 1/20 0.39
MGLL Q99685 1/20 0.38
NPC1 O15118 2/20 0.38
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
PRSS1 P07477 2/20 0.38
RAB9A P51151 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
SCHEMBL5015785 0.96 FAAH (0.43) FAAHTRPV1TRPM8EPHX2THRB
SCHEMBL5015806 0.95 TRPM8 (0.40) FAAHTRPV1TRPM8EPHX2F2
SCHEMBL5015775 0.93 FAAH (0.44) FAAHTRPV1TRPM8EPHX2THRB
SCHEMBL5011295 0.92 MAPT (0.44) FAAHTRPV1EPHX2MGLLNPC1
SCHEMBL5014416 0.91 TRPM8 (0.42) FAAHTRPV1TRPM8EPHX2RAB9A
SCHEMBL5011264 0.91 TRPV1 (0.41) FAAHTRPV1TRPM8EPHX2F2
SCHEMBL5012223 0.91 TRPV1 (0.41) FAAHTRPV1TRPM8EPHX2NPC1
SCHEMBL5014417 0.91 TRPV1 (0.41) FAAHTRPV1TRPM8EPHX2NPC1
SCHEMBL16175698 0.91 EPHX2 (0.43) TRPM8EPHX2
SCHEMBL5012816 0.91 FPR1 (0.40) FAAHTRPV1TRPM8EPHX2F2

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