SCHEMBL5012197

SCHEMBL5012197

COc1cccc(C2=NOC3(CCN(OC(=O)Nc4ccccc4C)CC3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
RECQL P46063 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
MAPT P10636 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.40
ACHE P22303 4/20 0.40
BCHE P06276 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.39
GRK2 P25098 1/20 0.39

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
SCHEMBL5012864 0.91 MAPT (0.44) TDP1RECQLPOLBAPEX1MAPT
SCHEMBL16175520 0.90 HTT (0.43) TDP1RECQLPOLBAPEX1MAPT
SCHEMBL16175733 0.90 LMNA (0.45) TDP1RECQLPOLBAPEX1MAPT
SCHEMBL5015815 0.90 RAB9A (0.46) TDP1RECQLPOLBAPEX1MAPT
SCHEMBL5012237 0.90 KMT2A (0.43) TDP1POLBACHEBCHEKMT2A
SCHEMBL5014393 0.90 LMNA (0.54) TDP1RECQLPOLBAPEX1MAPT
SCHEMBL5015690 0.90 GRK2 (0.41) TDP1RECQLPOLBAPEX1MAPT
SCHEMBL5058662 0.89 BCHE (0.41) TDP1RECQLPOLBAPEX1MAPT
SCHEMBL5012789 0.89 PYGM (0.41) TDP1RECQLPOLBAPEX1MAPT
SCHEMBL16175499 0.88 TDP1 (0.46) TDP1RECQLPOLBAPEX1MAPT

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