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SCHEMBL25564601

SCHEMBL25564601

C=[N+](C)C(=O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@@H](CCCNC(N)=O)NC(=O)CC(C)C)cc1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 1/20 0.37
▸ SIRT2 Q8IXJ6 9/20 0.35
▸ SIRT1 Q96EB6 8/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ SIRT3 Q9NTG7 4/20 0.34
▸ SIRT5 Q9NXA8 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ FURIN P09958 2/20 0.32
▸ 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
SCHEMBL24774254 0.91 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL24584968 0.91 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL26140860 0.91 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL23189216 0.91 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL26560488 0.90 FAP (0.39) FAPSIRT2SIRT1BACE1SIRT3
SCHEMBL17706450 0.88 SIRT2 (0.41) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL25564468 0.84 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY1R
SCHEMBL24095912 0.84 FAP (0.40) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL22871647 0.82 FAP (0.38) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL24668215 0.82 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5

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-2023083900-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY TUBULIS GMBH (DE) 2023-05-19 — — WO disclosed