SCHEMBL5012238

SCHEMBL5012238

CCc1cccc(NC(=O)ON2CCC3(CC2)CC(c2ccc(C(C)(C)C)cc2)=NO3)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.38
DNMT1 P26358 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.36
CTDSP1 Q9GZU7 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
SCHEMBL5015800 0.93 MGLL (0.41) POLBTDP1ATMMAPTHTT
SCHEMBL5068349 0.91 KMT2A (0.42) POLBTDP1ATMMAPTHTT
SCHEMBL16175714 0.91 HTT (0.46) POLBTDP1ATMMAPTHTT
SCHEMBL16175701 0.90 POLB (0.45) POLBTDP1ATMMAPTHTT
SCHEMBL5012988 0.90 SMN1; SMN2 (0.37) MAPTSMN1; SMN2KDM4EF2F10
SCHEMBL5012844 0.89 KMT2A (0.40) POLBTDP1ATMMAPTHTT
SCHEMBL5011200 0.88 CA1 (0.40) POLBTDP1ATMMAPTHTT
SCHEMBL5012284 0.88 MAPT (0.42) POLBTDP1ATMMAPTHTT
SCHEMBL5012775 0.88 CA1 (0.41) POLBTDP1ATMMAPTDNMT1
SCHEMBL5014531 0.88 FAAH (0.41) POLBTDP1HTTCYP3A4CYP2C19

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