SCHEMBL5011187

SCHEMBL5011187

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)ON1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 1/20 0.42
GRM4 Q14833 1/20 0.42
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PGR P06401 1/20 0.41
OPRK1 P41145 1/20 0.41
RAF1 P04049 1/20 0.40
MAPT P10636 6/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
GRIN2B Q13224 1/20 0.40
RAPGEF3 O95398 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
BRAF P15056 1/20 0.40
MAPK14 Q16539 1/20 0.40
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL16175605 0.93 OTUD7B (0.44) OTUD7BGRM4KDRSMN1; SMN2NPSR1
SCHEMBL5015751 0.92 OTUD7B (0.41) OTUD7BGRM4KDRSMN1; SMN2NPSR1
SCHEMBL5012754 0.92 MAPT (0.47) OTUD7BKDRSMN1; SMN2NPSR1RAF1
SCHEMBL16175659 0.90 MAPT (0.51) SMN1; SMN2NPSR1RAF1MAPTLMNA
SCHEMBL16175635 0.90 GRIN2B (0.44) OTUD7BKDRSMN1; SMN2NPSR1MAPT
SCHEMBL5125060 0.87 EPHX2 (0.51) OTUD7BGRM4SMN1; SMN2NPSR1MAPT
SCHEMBL5015785 0.86 FAAH (0.43) KMT2AEPHX2
SCHEMBL5011313 0.85 MAPT (0.46) KDRSMN1; SMN2MAPTLMNAMEN1
SCHEMBL16175688 0.84 KDM4E (0.40) SMN1; SMN2TP53KMT2AALDH1A1GAA
SCHEMBL5014461 0.84 ALDH1A1 (0.42) MAPTLMNATP53MEN1KMT2A

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-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO disclosed