SCHEMBL23699401

SCHEMBL23699401

COC(=O)C(CNC(=O)OC(C)(C)C)C1CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.44
SYK P43405 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
USP2 O75604 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
ACE P12821 1/20 0.38
NAMPT P43490 2/20 0.38
TSHR P16473 1/20 0.38
EPHX2 P34913 1/20 0.37
SCN9A Q15858 2/20 0.36

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
SCHEMBL23699239 0.90 DRD2 (0.45) DRD2SYKMTNR1AMTNR1BPCSK9
SCHEMBL23699407 0.83 DRD2 (0.44) DRD2SYKACE
SCHEMBL23699443 0.78 USP2 (0.43) MTNR1AMTNR1BUSP2TSHR
SCHEMBL23934503 0.77 USP2 (0.45) MTNR1AMTNR1BUSP2TSHR
SCHEMBL23934534 0.77 DRD2 (0.38) DRD2MTNR1AMTNR1BUSP2TSHR
SCHEMBL31758027 0.76 DRD2 (0.41) DRD2SCN9A
SCHEMBL31757665 0.76 DRD2 (0.41) DRD2SCN9A
SCHEMBL24106073 0.75 USP2 (0.54) USP2TSHREPHX2SCN9A
SCHEMBL23771659 0.74 PPARA (0.40) DRD2
SCHEMBL22036215 0.74 PPARA (0.40) DRD2

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