SCHEMBL23699409

SCHEMBL23699409

C[C@@H](c1ccccc1F)[C@@H](CNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
CTSS P25774 4/20 0.43
CTSK P43235 3/20 0.43
MC4R P32245 1/20 0.41
ATM Q13315 1/20 0.39
PTPN1 P18031 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
IDO1 P14902 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
KDM4A O75164 1/20 0.37
SCN9A Q15858 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
SCHEMBL23699411 1.00 SYK (0.44) SYKCTSSCTSKMC4RATM
SCHEMBL21903152 0.83 SYK (0.48) SYKCTSSCTSKATMPCSK9
SCHEMBL23699059 0.83 SYK (0.48) SYKCTSSCTSKATMPCSK9
SCHEMBL23699400 0.82 LMNA (0.45) SYKCTSSCTSKATMCTSL
SCHEMBL23699398 0.82 LMNA (0.45) SYKCTSSCTSKATMCTSL
SCHEMBL23699379 0.79 CTSS (0.45) SYKCTSSCTSKGPR119
SCHEMBL23699376 0.79 CTSS (0.45) SYKCTSSCTSKGPR119
SCHEMBL15617935 0.79 SYK (0.46) SYKCTSSCTSKATMPCSK9
SCHEMBL23699388 0.77 RIPK1 (0.36) CTSSCTSKMC4RATMPTPN1
SCHEMBL23699385 0.77 RIPK1 (0.36) CTSSCTSKMC4RATMPTPN1

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-3858439-A1 AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-08-04 EP disclosed
EP-3858439-A1 AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-08-04 EP disclosed