SCHEMBL3640556

SCHEMBL3640556

CC(C)(C)OC(=O)COCC1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.46
SIGMAR1 Q99720 4/20 0.46
FKBP1A P62942 4/20 0.46
ABHD6 Q9BV23 1/20 0.45
DAGLA Q9Y4D2 1/20 0.45
PARP1 P09874 1/20 0.45
PREP P48147 3/20 0.44
ACE2 Q9BYF1 1/20 0.43
PRMT5 O14744 1/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL13567882 0.97 PREP (0.47) PARP1PREPACE2
SCHEMBL3636928 0.90 PARP1 (0.46) TMEM97SIGMAR1FKBP1APARP1PREP
SCHEMBL13567881 0.85 PREP (0.52) FKBP1APREPACE2
SCHEMBL6610814 0.85 DAGLA (0.54) FKBP1AABHD6DAGLAPARP1PRMT5
SCHEMBL20129716 0.85 DAGLA (0.54) FKBP1AABHD6DAGLAPARP1PRMT5
SCHEMBL30872540 0.84 FKBP1A (0.47) TMEM97SIGMAR1FKBP1AABHD6DAGLA
SCHEMBL10899666 0.82 PREP (0.51) PREPACE2
SCHEMBL10899658 0.82 PREP (0.51) PREPACE2
SCHEMBL3763846 0.82 PDE8B (0.43) PREP
SCHEMBL3604619 0.82 FKBP1A (0.51) TMEM97SIGMAR1FKBP1AABHD6DAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155678-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC Neurosciences GmbH (DE) 2010-02-24 EP disclosed
WO-2008125570-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2008-10-23 WO disclosed
WO-2008125570-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2008-10-23 WO disclosed