SCHEMBL21883412

SCHEMBL21883412

CCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)C(NC(=O)CCOCCOCCOCCOCCN2C(=O)C=CC2=O)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 3/20 0.42
▸ FAP Q12884 5/20 0.42
▸ HTT P42858 1/20 0.38
▸ MAP1LC3B Q9GZQ8 2/20 0.36
▸ SIRT2 Q8IXJ6 3/20 0.34
▸ SIRT1 Q96EB6 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CHRNA1 P02708 1/20 0.33
▸ CHRNG P07510 1/20 0.33
▸ CHRNB1 P11230 1/20 0.33
▸ CHRND Q07001 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPY1R P25929 1/20 0.32
▸ NPY2R P49146 1/20 0.32
▸ NPY4R P50391 1/20 0.32
▸ NPY5R Q15761 1/20 0.32

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
SCHEMBL24916473 1.00 FURIN (0.42) FURINFAPHTTMAP1LC3BSIRT2
SCHEMBL22432743 0.94 FAP (0.40) FURINFAPHTTMAP1LC3BSIRT2
SCHEMBL23943282 0.94 FAP (0.40) FURINFAPHTTMAP1LC3BSIRT2
SCHEMBL22138625 0.94 FAP (0.40) FURINFAPHTTMAP1LC3BSIRT2
SCHEMBL24224636 0.94 FAP (0.40) FURINFAPHTTMAP1LC3BSIRT2
SCHEMBL16946352 0.94 FAP (0.40) FURINFAPHTTMAP1LC3BSIRT2
SCHEMBL25450085 0.94 FAP (0.40) FURINFAPHTTMAP1LC3BSIRT2
SCHEMBL27197502 0.94 FAP (0.40) FURINFAPHTTMAP1LC3BSIRT2
SCHEMBL31045324 0.93 FAP (0.40) FURINFAPHTTMAP1LC3BSIRT2
SCHEMBL31045407 0.93 FAP (0.40) FURINFAPHTTMAP1LC3BSIRT2

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-2020058290-A1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-03-26 — — WO disclosed
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