SCHEMBL5012289

SCHEMBL5012289

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.36
TRPM8 Q7Z2W7 9/20 0.36
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
PRSS1 P07477 2/20 0.35
FAAH O00519 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MAPT P10636 1/20 0.34
KIF11 P52732 1/20 0.33

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 0.93 TRPM8 (0.40) EPHX2TRPM8F2F10PRSS1
SCHEMBL5012833 0.92 FAAH (0.35) EPHX2FAAHTRPV1MAPTKIF11
SCHEMBL5014417 0.90 TRPV1 (0.41) EPHX2TRPM8F2F10PRSS1
SCHEMBL5012816 0.90 FPR1 (0.40) EPHX2TRPM8F2F10PRSS1
SCHEMBL5012223 0.90 TRPV1 (0.41) EPHX2TRPM8F2F10PRSS1
SCHEMBL5011360 0.90 HCRTR1 (0.45) EPHX2F2F10PRSS1MAPT
SCHEMBL5012960 0.89 KMT2A (0.38) MAPT
SCHEMBL5014416 0.89 TRPM8 (0.42) EPHX2TRPM8FAAHTRPV1
SCHEMBL5014470 0.89 ABCG2 (0.42) F2F10PRSS1MAPT
SCHEMBL5011264 0.88 TRPV1 (0.41) EPHX2TRPM8F2F10PRSS1

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