SCHEMBL5014393

SCHEMBL5014393

COc1cccc(C2=NOC3(CCN(OC(=O)Nc4ccccc4SC)CC3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
HCRTR1 O43613 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
RECQL P46063 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.38
GRK2 P25098 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL5012765 0.90 LMNA (0.40) LMNAKMT2AMEN1HSD17B10
SCHEMBL5012864 0.90 MAPT (0.44) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL5012197 0.90 TDP1 (0.42) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL16175733 0.89 LMNA (0.45) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL5015815 0.89 RAB9A (0.46) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL16175520 0.89 HTT (0.43) LMNAKMT2ANPC1RAB9AMAPT
SCHEMBL5015690 0.88 GRK2 (0.41) LMNAKMT2AMEN1NPC1MAPT
SCHEMBL5124310 0.88 LMNA (0.56) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL5058662 0.87 BCHE (0.41) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL5012789 0.87 PYGM (0.41) LMNAKMT2AMEN1NPC1HSD17B10

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