SCHEMBL5015751

SCHEMBL5015751

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)ON1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 1/20 0.41
KDR P35968 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX2 P34913 4/20 0.40
MAPT P10636 3/20 0.39
BRAF P15056 1/20 0.39
MAPK14 Q16539 1/20 0.39
KMT2A Q03164 1/20 0.39
PDK1 Q15118 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
USP30 Q70CQ3 1/20 0.37
GRM4 Q14833 1/20 0.37

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
SCHEMBL16175635 0.94 GRIN2B (0.44) OTUD7BKDRSMN1; SMN2NPSR1EPHX2
SCHEMBL16175605 0.94 OTUD7B (0.44) OTUD7BKDRSMN1; SMN2NPSR1EPHX2
SCHEMBL5012754 0.92 MAPT (0.47) OTUD7BKDRSMN1; SMN2NPSR1EPHX2
SCHEMBL5011187 0.92 OTUD7B (0.42) OTUD7BKDRSMN1; SMN2NPSR1EPHX2
SCHEMBL5015806 0.89 TRPM8 (0.40) EPHX2TRPM8
SCHEMBL16175698 0.89 EPHX2 (0.43) SMN1; SMN2NPSR1EPHX2MAPTTRPM8
SCHEMBL5012723 0.87 MAPT (0.44) NPSR1EPHX2MAPTKMT2ATRPM8
SCHEMBL5012966 0.87 POLB (0.42) MAPTKMT2AALDH1A1LMNA
SCHEMBL5117757 0.87 TRPM8 (0.51) EPHX2MAPTTRPM8
SCHEMBL16175659 0.86 MAPT (0.51) SMN1; SMN2NPSR1MAPTBRAFALDH1A1

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