SCHEMBL30109352

SCHEMBL30109352

O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)NCCc1c[nH]c2ccc(O)cc12)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.61
TRPV1 Q8NER1 5/20 0.56
NOTUM Q6P988 3/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
IDO1 P14902 1/20 0.54
HPGD P15428 1/20 0.54
BLM P54132 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
SNCA P37840 1/20 0.54
PTGS2 P35354 3/20 0.53

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
SCHEMBL20168558 1.00 SPR (0.61) SPRTRPV1NOTUMKDM4EALDH1A1
SCHEMBL20168557 1.00 SPR (0.61) SPRTRPV1NOTUMKDM4EALDH1A1
SCHEMBL20182262 0.86 TRPV1 (0.73) SPRTRPV1NOTUMKDM4EALDH1A1
SCHEMBL23535627 0.85 SPR (0.69) SPRTRPV1NOTUMKDM4EALDH1A1
SCHEMBL20168183 0.85 SPR (0.69) SPRTRPV1NOTUMKDM4EALDH1A1
SCHEMBL23552961 0.83 SPR (0.70) SPRTRPV1NOTUMKDM4EALDH1A1
SCHEMBL23552681 0.81 SPR (0.64) SPRTRPV1NOTUMKDM4EALDH1A1
SCHEMBL21470293 0.80 TRPV1 (0.70) SPRTRPV1NOTUMKDM4EALDH1A1
SCHEMBL20182419 0.80 TRPV1 (0.70) SPRTRPV1NOTUMKDM4EALDH1A1
SCHEMBL20182380 0.79 SPR (0.64) SPRTRPV1NOTUMKDM4EALDH1A1

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
CN-110177581-B Myeloperoxidase imaging agents 通用医疗公司 2023-01-03 CN disclosed