SCHEMBL5012846

SCHEMBL5012846

O=C(Nc1ccccc1F)ON1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.39
TRPM8 Q7Z2W7 5/20 0.38
MAOB P27338 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
EPHX2 P34913 1/20 0.35
KIF11 P52732 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
P2RY1 P47900 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
SCHEMBL5014399 0.92 CHRM3 (0.39) CHRM3TRPV1KMT2ANPC1RAB9A
SCHEMBL5012843 0.91 CHRM3 (0.39) CHRM3TRPV1KMT2A
SCHEMBL5012219 0.91 GPR119 (0.40) CHRM3TRPV1KMT2ANPC1RAB9A
SCHEMBL5012976 0.90 KMT2A (0.41) CHRM3TRPV1EPHX2KMT2ARAB9A
SCHEMBL16175697 0.90 TRPM8 (0.39) CHRM3TRPM8TRPV1EPHX2KMT2A
SCHEMBL5012231 0.90 TRPM8 (0.39) CHRM3TRPM8TRPV1KMT2A
SCHEMBL5012967 0.89 KMT2A (0.42) EPHX2KMT2ANPC1RAB9ANPSR1
SCHEMBL16175746 0.89 KDM4E (0.42) CHRM3KMT2ANPC1RAB9ANPSR1
SCHEMBL5012853 0.89 CCR3 (0.41) CHRM3KMT2ANPSR1ALDH1A1
SCHEMBL5015823 0.89 CHRM3 (0.39) CHRM3TRPM8TRPV1EPHX2KMT2A

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