SCHEMBL18683050

SCHEMBL18683050

COC(=O)[C@H](OC)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AAK1 Q2M2I8 3/20 0.35
KLK5 Q9Y337 2/20 0.34
DRD2 P14416 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
AKT1 P31749 1/20 0.33
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PTPN1 P18031 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL18683500 0.86 LMNA (0.39) LMNAPOLBCTSSCTSKMEN1
SCHEMBL18683131 0.85 SYK (0.42) LMNAPOLBCTSSCTSKMEN1
SCHEMBL21677218 0.85 SYK (0.42) LMNAPOLBCTSSCTSKMEN1
SCHEMBL21677169 0.81 CTSS (0.39) LMNAPOLBCTSSCTSKAAK1
SCHEMBL18683318 0.81 CTSS (0.39) LMNAPOLBCTSSCTSKAAK1
SCHEMBL18683358 0.81 LMNA (0.38) LMNAPOLBCTSSCTSKAAK1
SCHEMBL21677228 0.79 LMNA (0.39) LMNAPOLBCTSSCTSKMEN1
SCHEMBL17169212 0.79 LMNA (0.39) LMNAPOLBCTSSCTSKAAK1
SCHEMBL17169209 0.79 LMNA (0.39) LMNAPOLBCTSSCTSKAAK1
SCHEMBL18683370 0.79 CTSS (0.40) LMNAPOLBCTSSCTSKAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017050978-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-03-30 WO disclosed