SCHEMBL5012914

SCHEMBL5012914

CCc1ccc(NC(=O)ON2CCC3(CC2)CC(c2ccc(C(F)(F)F)cc2)=NO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 3/20 0.39
F10 P00742 3/20 0.39
PRSS1 P07477 3/20 0.39
EPHX2 P34913 2/20 0.38
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.36
DNMT1 P26358 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
HIF1A Q16665 3/20 0.36
EPAS1 Q99814 3/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 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
SCHEMBL5015806 0.93 TRPM8 (0.40) F2F10PRSS1EPHX2FAAH
SCHEMBL5012988 0.92 SMN1; SMN2 (0.37) LMNANPC1RAB9ASMN1; SMN2F2
SCHEMBL5012223 0.90 TRPV1 (0.41) NPC1RAB9ASMN1; SMN2F2F10
SCHEMBL5014417 0.90 TRPV1 (0.41) NPC1RAB9ASMN1; SMN2F2F10
SCHEMBL5012816 0.90 FPR1 (0.40) F2F10PRSS1EPHX2FAAH
SCHEMBL5015800 0.90 MGLL (0.41) SMN1; SMN2DNMT1
SCHEMBL5012268 0.89 KMT2A (0.42) LMNANPC1RAB9ASMN1; SMN2F2
SCHEMBL5014416 0.89 TRPM8 (0.42) RAB9ASMN1; SMN2EPHX2FAAHTRPV1
SCHEMBL5014470 0.89 ABCG2 (0.42) LMNATP53RAB9ASMN1; SMN2F2
SCHEMBL5011264 0.88 TRPV1 (0.41) F2F10PRSS1EPHX2FAAH

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