SCHEMBL5014416

SCHEMBL5014416

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 9/20 0.42
RAB9A P51151 1/20 0.39
CCR3 P51677 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 4/20 0.37
FAAH O00519 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MAOB P27338 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 0.96 TRPM8 (0.40) TRPM8EPHX2FAAHTRPV1
SCHEMBL5012816 0.92 FPR1 (0.40) TRPM8CCR3KMT2AEPHX2FAAH
SCHEMBL5015689 0.92 KMT2A (0.43) RAB9ACCR3MEN1KMT2ASMN1; SMN2
SCHEMBL5011264 0.92 TRPV1 (0.41) TRPM8EPHX2FAAHTRPV1
SCHEMBL5014417 0.92 TRPV1 (0.41) TRPM8RAB9ASMN1; SMN2EPHX2FAAH
SCHEMBL16175698 0.92 EPHX2 (0.43) TRPM8SMN1; SMN2EPHX2
SCHEMBL5012223 0.92 TRPV1 (0.41) TRPM8RAB9ASMN1; SMN2EPHX2FAAH
SCHEMBL5014396 0.91 FAAH (0.41) TRPM8RAB9AEPHX2FAAHTRPV1
SCHEMBL5015785 0.91 FAAH (0.43) TRPM8RAB9ACCR3KMT2AEPHX2
SCHEMBL5014470 0.90 ABCG2 (0.42) RAB9ASMN1; SMN2

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