SCHEMBL1456946

SCHEMBL1456946

COc1ccc(CNC(=O)OC2=NOC3(CCN(C(=S)NC4CCCCCCC4)CC3)C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
EPHX1 P07099 1/20 0.43
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
LMNA P02545 1/20 0.38
ALPL P05186 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
POLB P06746 1/20 0.38

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 1.00 FKBP1A (0.44) FKBP1AMEN1KMT2ANPC1RAB9A
SCHEMBL1456969 0.99 FKBP1A (0.43) FKBP1AMEN1KMT2ANPC1RAB9A
SCHEMBL5127055 0.88 FKBP1A (0.45) FKBP1AMEN1KMT2ANPC1RAB9A
SCHEMBL5126624 0.88 FKBP1A (0.45) FKBP1AMEN1KMT2ANPC1RAB9A
SCHEMBL5126820 0.87 FKBP1A (0.44) FKBP1AMEN1KMT2ANPC1RAB9A
SCHEMBL1457495 0.86 EPHX1 (0.48) MEN1KMT2ANPC1RAB9AEPHX1
SCHEMBL1457244 0.86 HCRTR1 (0.41) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL1457496 0.86 ALDH1A1 (0.45) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL1457697 0.84 KMT2A (0.45) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL1457238 0.84 ALDH1A1 (0.41) MEN1KMT2ARAB9AGAAALDH1A1

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