SCHEMBL5015745

SCHEMBL5015745

CC(C)c1ccc(NC(=O)ON2CCC3(CC2)CC(c2ccc(C(C)(C)C)cc2)=NO3)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
BCHE P06276 7/20 0.36
ACHE P22303 4/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD11B1 P28845 1/20 0.35
FAAH O00519 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL5058772 1.00 MAOB (0.38) MAOBMAPTLMNABCHEACHE
SCHEMBL5012817 0.94 FAAH (0.39) MAPTLMNANPC1RAB9AL3MBTL1
SCHEMBL5012266 0.92 PANK3 (0.41) MAOBMAPTLMNABCHEACHE
SCHEMBL5014559 0.91 SMN1; SMN2 (0.41) MAPTNPC1RAB9AALDH1A1FAAH
SCHEMBL16175670 0.91 SMN1; SMN2 (0.41) MAPTNPC1RAB9AALDH1A1FAAH
SCHEMBL5014386 0.90 KMT2A (0.39) MAPTLMNAFAAHTRPV1
SCHEMBL16175763 0.90 MAOB (0.39) MAOBMAPTLMNABCHEACHE
SCHEMBL5012959 0.90 KMT2A (0.39) MAPTLMNAFAAHTRPV1
SCHEMBL5140778 0.90 RAB9A (0.41) MAOBMAPTLMNABCHEACHE
SCHEMBL5015689 0.89 KMT2A (0.43) MAPTLMNANPC1RAB9AL3MBTL1

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