SCHEMBL5015776

SCHEMBL5015776

CSc1ccc(NC(=O)ON2CCC3(CC2)CC(c2ccccc2)=NO3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
KMT2A Q03164 2/20 0.38
FPR2 P25090 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
GRK2 P25098 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 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
SCHEMBL5012960 0.91 KMT2A (0.38) KMT2AFPR2MEN1ITGB1ITGA4
SCHEMBL16175657 0.91 KDM4E (0.38) HTTKMT2APOLBAPAF1GRK2
SCHEMBL5012290 0.90 F10 (0.43) HTTF2F10PRSS1KMT2A
SCHEMBL5012860 0.90 HTT (0.41) HTTF2F10PRSS1KMT2A
SCHEMBL5011242 0.90 MAPT (0.43) HTTKMT2APOLBMEN1APAF1
SCHEMBL5014379 0.89 TDP1 (0.42) HTTF2F10PRSS1POLB
SCHEMBL5012261 0.89 KMT2A (0.46) F2F10PRSS1KMT2AKDM4E
SCHEMBL5012833 0.89 FAAH (0.35) HTTKMT2AFPR2POLBAPOBEC3G
SCHEMBL5012289 0.88 EPHX2 (0.36) F2F10PRSS1MAPT
SCHEMBL5015832 0.87 KDM4E (0.50) HTTKMT2APOLBMEN1GRK2

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 3 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