SCHEMBL1456969

SCHEMBL1456969

COc1ccc(CNC(=O)OC2=NOC3(CCN(C(=S)NC4CCCC4)CC3)C2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 3/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
LMNA P02545 2/20 0.38
PKM P14618 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
SCHEMBL1457211 0.99 FKBP1A (0.44) FKBP1AKMT2AMEN1RAB9ANPC1
SCHEMBL1456946 0.99 FKBP1A (0.44) FKBP1AKMT2AMEN1RAB9ANPC1
SCHEMBL5126820 0.87 FKBP1A (0.44) FKBP1AKMT2AMEN1RAB9ANPC1
SCHEMBL5126624 0.87 FKBP1A (0.45) FKBP1AKMT2AMEN1RAB9ANPC1
SCHEMBL5127055 0.87 FKBP1A (0.45) FKBP1AKMT2AMEN1RAB9ANPC1
SCHEMBL1457496 0.86 ALDH1A1 (0.45) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL1457495 0.85 EPHX1 (0.48) KMT2AMEN1RAB9ANPC1EPHX1
SCHEMBL1457244 0.85 HCRTR1 (0.41) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL1457697 0.85 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1457238 0.85 ALDH1A1 (0.41) KMT2AMEN1RAB9AALDH1A1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292625-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-12-25 EP claimed
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP claimed
EP-1893620-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2008-03-05 EP claimed
WO-2006122769-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-2292625-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-12-25 EP disclosed
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP disclosed