SCHEMBL5012248

SCHEMBL5012248

O=C(NCc1ccccc1)ON1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
SCN9A Q15858 1/20 0.40
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CHRM4 P08173 1/20 0.38
POLB P06746 1/20 0.37
MAPK14 Q16539 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
SCHEMBL16175723 0.91 KMT2A (0.47) KMT2ASCN9AATMPOLB
SCHEMBL5014451 0.91 TP53 (0.43) KMT2ATRPV1CHRM4
SCHEMBL5015793 0.91 KMT2A (0.45) KMT2AALDH1A1
SCHEMBL5012838 0.91 KMT2A (0.47) KMT2AATMPOLB
SCHEMBL5015824 0.90 TP53 (0.46) KMT2AALDH1A1POLB
SCHEMBL5012210 0.88 ALDH1A1 (0.45) KMT2AALDH1A1
SCHEMBL5064863 0.88 KMT2A (0.52) KMT2AALDH1A1
SCHEMBL5125949 0.86 KMT2A (0.45) KMT2A
SCHEMBL5014396 0.86 FAAH (0.41) TRPV1
SCHEMBL16175653 0.84 KMT2A (0.56) KMT2AATM

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