SCHEMBL5012891

SCHEMBL5012891

CCc1ccc(NC(=O)ON2CCC3(CC2)CC(c2cccc(OC)c2)=NO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
F10 P00742 5/20 0.44
F2 P00734 4/20 0.44
PRSS1 P07477 4/20 0.44
LMNA P02545 2/20 0.42
GRK2 P25098 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL5014402 0.92 GRK2 (0.45) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5014439 0.92 TDP1 (0.47) MAPTSMN1; SMN2NPC1RAB9AF10
SCHEMBL5015851 0.90 SMN1; SMN2 (0.44) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16175499 0.90 TDP1 (0.46) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5012918 0.90 CNR1 (0.48) MAPTMEN1KMT2ASMN1; SMN2F10
SCHEMBL5012220 0.90 HTT (0.43) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5013010 0.90 MAPT (0.45) MAPTSMN1; SMN2NPC1RAB9AF10
SCHEMBL5014474 0.89 TDP1 (0.47) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5011113 0.89 RAB9A (0.43) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5012246 0.89 MAPT (0.44) MAPTSMN1; SMN2NPC1F10F2

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