SCHEMBL24164331

SCHEMBL24164331

COCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCOCCOCCOCCOCCN2C(=O)C=CC2=O)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.41
▸ MAP1LC3B Q9GZQ8 2/20 0.37
▸ FURIN P09958 2/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ SIRT2 Q8IXJ6 6/20 0.33
▸ SIRT1 Q96EB6 5/20 0.33
▸ SIRT3 Q9NTG7 3/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ NPY4R P50391 1/20 0.33
▸ NPY5R Q15761 1/20 0.33

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
SCHEMBL24649258 0.93 FAP (0.43) FAPMAP1LC3BFURINSIRT5HTT
SCHEMBL24477318 0.93 FAP (0.43) FAPMAP1LC3BFURINSIRT5HTT
SCHEMBL24916540 0.93 FAP (0.43) FAPMAP1LC3BFURINSIRT5HTT
SCHEMBL24648786 0.93 FAP (0.43) FAPMAP1LC3BFURINSIRT5HTT
SCHEMBL23347053 0.93 FAP (0.43) FAPMAP1LC3BFURINSIRT5HTT
SCHEMBL23867876 0.93 FAP (0.43) FAPMAP1LC3BFURINSIRT5HTT
SCHEMBL23943282 0.93 FAP (0.40) FAPMAP1LC3BFURINHTTSIRT2
SCHEMBL25450085 0.93 FAP (0.40) FAPMAP1LC3BFURINHTTSIRT2
SCHEMBL24224636 0.93 FAP (0.40) FAPMAP1LC3BFURINHTTSIRT2
SCHEMBL24916473 0.93 FURIN (0.42) FAPMAP1LC3BFURINHTTSIRT2

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-2022006340-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-01-06 — — WO disclosed
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