SCHEMBL25216402

SCHEMBL25216402

N#C[C@@]1(c2ccc3c(NC4CC4)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.62
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ ADORA3 P0DMS8 3/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ TSHR P16473 2/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ SLC29A1 Q99808 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL25915192 0.91 TMPRSS2 (0.57) TMPRSS2IRAK4ADORA3ADORA2AADORA2B
SCHEMBL23959988 0.88 TMPRSS2 (0.66) TMPRSS2
SCHEMBL24106482 0.87 TMPRSS2 (0.67) TMPRSS2ADORA3ADORA1
SCHEMBL26004234 0.85 TMPRSS2 (0.62) TMPRSS2ADORA3ADORA2AADORA2BADORA1
SCHEMBL30960132 0.84 TMPRSS2 (0.71) TMPRSS2
SCHEMBL30363087 0.83 TMPRSS2 (0.59) TMPRSS2
SCHEMBL30973741 0.82 TMPRSS2 (0.66) TMPRSS2
Gs-441524 SCHEMBL24975226 0.82 TMPRSS2 (0.60) TMPRSS2ADORA2AHIF1A
Gs-441524 SCHEMBL22663744 0.82 TMPRSS2 (0.60) TMPRSS2ADORA2AHIF1A
Gs-441524 SCHEMBL22096285 0.82 TMPRSS2 (0.60) TMPRSS2ADORA2AHIF1A

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-2023102472-A1 ANTIVIRAL PRODRUGS AND FORMULATIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2023-06-08 — — WO disclosed
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