SCHEMBL5012884

SCHEMBL5012884

CC(C)(C)c1ccc(C2=NOC3(CCN(OC(=S)NC4CCCCC4)CC3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
EPHX2 P34913 2/20 0.36
EPHX1 P07099 1/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.32
MIF P14174 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK10 P53779 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL5012291 0.99 LMNA (0.38) LMNAHTTSMN1; SMN2POLBEPHX2
SCHEMBL5011104 0.91 LMNA (0.43) LMNAHTTSMN1; SMN2EPHX2MEN1
SCHEMBL5012863 0.91 LMNA (0.43) LMNAHTTSMN1; SMN2EPHX2MEN1
SCHEMBL5012908 0.90 LMNA (0.42) LMNAHTTSMN1; SMN2POLBEPHX2
SCHEMBL5012874 0.89 NPC1 (0.39) LMNASMN1; SMN2POLBRAB9AMEN1
SCHEMBL5054417 0.89 NPC1 (0.39) LMNASMN1; SMN2POLBRAB9AMEN1
SCHEMBL5014508 0.89 EPHX2 (0.41) HTTSMN1; SMN2EPHX2EPHX1RAB9A
SCHEMBL5011473 0.88 NPC1 (0.39) LMNASMN1; SMN2POLBRAB9AMEN1
SCHEMBL5012168 0.87 LMNA (0.41) LMNAHTTSMN1; SMN2RAB9AMEN1
SCHEMBL5015769 0.87 LMNA (0.41) LMNAHTTSMN1; SMN2RAB9AMEN1

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