SCHEMBL5012968

SCHEMBL5012968

CSc1ccccc1NC(=O)ON1CCC2(CC1)CC(c1ccc(C(C)(C)C)cc1)=NO2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.39
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
MIF P14174 1/20 0.34
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.33
CETP P11597 1/20 0.33

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
SCHEMBL5015823 0.92 CHRM3 (0.39) CHRM3KMT2ALMNAF2F10
SCHEMBL5012765 0.91 LMNA (0.40) KMT2ALMNAF2F10PRSS1
SCHEMBL5012856 0.90 KMT2A (0.42) KMT2ALMNAHSD17B10
SCHEMBL5014557 0.89 CHRM3 (0.40) CHRM3KMT2AMIF
SCHEMBL16175715 0.89 MAPT (0.40) CHRM3KMT2ALMNANPSR1RAB9A
SCHEMBL16175602 0.89 ATM (0.43) CHRM3KMT2ATP53NPSR1RAB9A
SCHEMBL5014339 0.89 KMT2A (0.39) CHRM3KMT2AMIF
SCHEMBL5014399 0.89 CHRM3 (0.39) CHRM3KMT2AMIFNPSR1RAB9A
SCHEMBL5015747 0.88 CHRM3 (0.40) CHRM3KMT2AMIF
SCHEMBL5014501 0.88 TRPV1 (0.41) CHRM3KMT2ANPSR1

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