SCHEMBL5331489

SCHEMBL5331489

CCC(CCC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.58
YAP1 P46937 3/20 0.52
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
GPR119 Q8TDV5 1/20 0.50
STS P08842 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
BACE1 P56817 1/20 0.47
P2RX7 Q99572 6/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
NTSR1 P30989 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL12652625 0.88 YAP1 (0.60) YAP1KDM4EPKMP2RX7MAPT
SCHEMBL3008274 0.88 YAP1 (0.60) YAP1KDM4EPKMP2RX7MAPT
SCHEMBL3008280 0.88 YAP1 (0.60) YAP1KDM4EPKMP2RX7MAPT
SCHEMBL5569616 0.88 YAP1 (0.55) SYKYAP1KDM4EPKMGPR119
SCHEMBL2999886 0.87 YAP1 (0.62) YAP1KDM4EPKMP2RX7MAPT
SCHEMBL8147986 0.87 YAP1 (0.62) YAP1KDM4EPKMP2RX7MAPT
SCHEMBL2999882 0.87 YAP1 (0.62) YAP1KDM4EPKMP2RX7MAPT
SCHEMBL25245210 0.85 GPR119 (0.59) SYKYAP1GPR119STSL3MBTL1
SCHEMBL17591749 0.85 GPR119 (0.59) SYKYAP1GPR119STSL3MBTL1
SCHEMBL3661565 0.83 GPR119 (0.57) SYKYAP1KDM4EPKMGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804796-A2 AMINO SUBSTITUTED ARYLOXYBENZYLPIPERIDINE DERIVATIVES H.Lundbeck A/S (DK) 2007-07-11 EP disclosed
WO-2006041636-A2 AMINO SUBSTITUTED ARYLOXYBENZYLPIPERIDINE DERIVATIVES H.LUNDBECK A/S (DK) 2006-04-20 WO disclosed