SCHEMBL25124339

SCHEMBL25124339

COCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(C)C)C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 3/20 0.43
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ SIRT2 Q8IXJ6 7/20 0.39
▸ SIRT1 Q96EB6 6/20 0.39
▸ SIRT3 Q9NTG7 3/20 0.39
▸ SIRT5 Q9NXA8 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ NPY4R P50391 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL16769624 0.91 FURIN (0.41) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL25655950 0.91 FURIN (0.41) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL16772164 0.91 FURIN (0.44) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL16479283 0.91 FURIN (0.44) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL20126461 0.91 SIRT2 (0.41) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL18822243 0.91 SIRT2 (0.41) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL24220963 0.91 SIRT2 (0.41) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL21728798 0.90 SIRT2 (0.41) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL20149172 0.89 FURIN (0.49) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL24220965 0.89 SIRT2 (0.44) FURINHTTSIRT2SIRT1SIRT3

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-2023047090-A1 ANTIBODY-DRUG CONJUGATES SPIREA LIMITED (GB) 2023-03-30 — — WO disclosed
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