SCHEMBL5012275

SCHEMBL5012275

O=C(Nc1ccc(I)cc1)ON1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
F10 P00742 2/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
KDM4E B2RXH2 3/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
APAF1 O14727 1/20 0.36
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL5012290 0.93 F10 (0.43) KMT2AF10F2PRSS1KDM4E
SCHEMBL5012860 0.93 HTT (0.41) KMT2AF10F2PRSS1KDM4E
SCHEMBL5014511 0.90 KDM4E (0.46) KDM4EHTTATMAPAF1POLB
SCHEMBL5014495 0.90 CACNA1H (0.42) KMT2AKDM4E
SCHEMBL5012261 0.90 KMT2A (0.46) KMT2AF10F2PRSS1KDM4E
SCHEMBL5012225 0.90 KMT2A (0.46) KMT2AF10F2PRSS1KDM4E
SCHEMBL5015832 0.88 KDM4E (0.50) KMT2AKDM4EHTTPOLBGRK2
SCHEMBL5012280 0.88 KMT2A (0.45) KMT2AF10F2PRSS1KDM4E
SCHEMBL5012693 0.88 FAAH (0.36) KMT2A
SCHEMBL5011264 0.88 TRPV1 (0.41) F10F2PRSS1

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