SCHEMBL23699239

SCHEMBL23699239

CC(C)(C)OC(=O)NCC(C(=O)O)C1CCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
ACE P12821 1/20 0.42
SYK P43405 1/20 0.42
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ECE1 P42892 5/20 0.39
IDO1 P14902 1/20 0.39
SCN9A Q15858 2/20 0.39
PCSK9 Q8NBP7 1/20 0.39
NAMPT P43490 1/20 0.38
PPARA Q07869 1/20 0.38
GPR119 Q8TDV5 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
SCHEMBL23699407 0.93 DRD2 (0.44) DRD2ACESYKECE1
SCHEMBL23699401 0.90 DRD2 (0.44) DRD2ACESYKMTNR1AMTNR1B
SCHEMBL1915907 0.82 PPARA (0.40) DRD2ECE1PPARA
SCHEMBL22035427 0.82 PPARA (0.40) DRD2ECE1PPARA
SCHEMBL22036215 0.82 PPARA (0.40) DRD2ECE1PPARA
SCHEMBL7958486 0.82 PPARA (0.40) DRD2ECE1PPARA
SCHEMBL23771659 0.82 PPARA (0.40) DRD2ECE1PPARA
SCHEMBL7958217 0.82 PPARA (0.40) DRD2ECE1PPARA
SCHEMBL14453238 0.80 IDO1 (0.43) DRD2IDO1SCN9APPARA
SCHEMBL31757939 0.80 IDO1 (0.43) DRD2IDO1SCN9APPARA

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