SCHEMBL5012770

SCHEMBL5012770

COc1ccccc1NC(=S)ON1CCC2(CC1)CC(c1ccc(C(C)(C)C)cc1)=NO2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
KMT2A Q03164 3/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
UCK2 Q9BZX2 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL5012171 0.92 CCR3 (0.39) KMT2AMAOAMAOBPOLBLMNA
SCHEMBL5012894 0.91 MAOA (0.43) KMT2AMAOAMAOBPOLBMAPT
SCHEMBL5011294 0.90 KMT2A (0.40) KMT2AMAOAMAOBPOLBMAPT
SCHEMBL5014501 0.90 TRPV1 (0.41) TRPV1DRD2DRD4DRD3KMT2A
SCHEMBL5012847 0.89 KMT2A (0.40) KMT2AMAOAMAOBMAPTLMNA
SCHEMBL5129841 0.88 KMT2A (0.49) KMT2AMAOAMAOBPOLBMAPT
SCHEMBL5014415 0.86 KMT2A (0.36) KMT2APOLB
SCHEMBL5012288 0.85 LMNA (0.33) KMT2AMAPTLMNAALDH1A1
SCHEMBL5012308 0.85 MAPT (0.44) DRD2DRD4DRD3MAOBPOLB
SCHEMBL5014469 0.84 KMT2A (0.38) TRPV1KMT2AMAPTKDM4E

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