SCHEMBL5012765

SCHEMBL5012765

CSc1ccccc1NC(=O)ON1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.40
FAAH O00519 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL5012856 0.93 KMT2A (0.42) LMNAKMT2AMEN1HSD17B10
SCHEMBL16175715 0.93 MAPT (0.40) LMNAKMT2AMEN1KDM4E
SCHEMBL5012968 0.91 CHRM3 (0.39) LMNAKMT2AF2F10PRSS1
SCHEMBL5014393 0.90 LMNA (0.54) LMNAKMT2AMEN1HSD17B10
SCHEMBL5015823 0.90 CHRM3 (0.39) LMNAKMT2AF2F10PRSS1
SCHEMBL5012237 0.88 KMT2A (0.43) KMT2ACHRNB4CHRNA3
SCHEMBL5012978 0.86 ITGB1 (0.41) KMT2AKDM4E
SCHEMBL5012827 0.86 KMT2A (0.42) KMT2AMEN1
SCHEMBL16175735 0.86 KMT2A (0.43) KMT2ACHRNB4CHRNA3
SCHEMBL5012219 0.86 GPR119 (0.40) KMT2ACHRNB4CHRNA3

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