SCHEMBL5011264

SCHEMBL5011264

O=C(Nc1ccc(I)cc1)ON1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.41
TRPM8 Q7Z2W7 9/20 0.37
FAAH O00519 1/20 0.36
EPHX2 P34913 5/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL5015806 0.95 TRPM8 (0.40) TRPV1TRPM8FAAHEPHX2F2
SCHEMBL5014416 0.92 TRPM8 (0.42) TRPV1TRPM8FAAHEPHX2
SCHEMBL5012816 0.91 FPR1 (0.40) TRPV1TRPM8FAAHEPHX2F2
SCHEMBL16175698 0.91 EPHX2 (0.43) TRPM8EPHX2
SCHEMBL5012693 0.91 FAAH (0.36) TRPV1FAAHKIF11
SCHEMBL5014417 0.91 TRPV1 (0.41) TRPV1TRPM8FAAHEPHX2F2
SCHEMBL5012223 0.91 TRPV1 (0.41) TRPV1TRPM8FAAHEPHX2F2
SCHEMBL5015785 0.91 FAAH (0.43) TRPV1TRPM8FAAHEPHX2F2
SCHEMBL5014396 0.91 FAAH (0.41) TRPV1TRPM8FAAHEPHX2F2
SCHEMBL5014470 0.89 ABCG2 (0.42) F2F10PRSS1

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