SCHEMBL26167079

SCHEMBL26167079

CC(=O)[C@H](CCCNC(N)=O)NC(=O)CNC(=O)[C@@H](C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ FURIN P09958 1/20 0.33
▸ QRFPR Q96P65 1/20 0.33
▸ NOD1 Q9Y239 2/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ NPY5R Q15761 4/20 0.32
▸ NPY1R P25929 3/20 0.32
▸ NPY4R P50391 3/20 0.32
▸ NPY2R P49146 1/20 0.32
▸ SHMT1 P34896 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KLK7 P49862 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALB P02768 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ NMT2 O60551 1/20 0.31
▸ NMT1 P30419 1/20 0.31

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
SCHEMBL25148126 0.88 SIRT5 (0.38) C3AR1CTDSP1NOD1SIRT5SIRT6
SCHEMBL20793387 0.82 C3AR1 (0.41) C3AR1CTDSP1QRFPRNOD1SIRT5
SCHEMBL20375713 0.82 C3AR1 (0.41) C3AR1CTDSP1QRFPRNOD1SIRT5
SCHEMBL18051173 0.82 C3AR1 (0.41) C3AR1CTDSP1QRFPRNOD1SIRT5
SCHEMBL22788849 0.81 C3AR1 (0.36) C3AR1CTDSP1QRFPRSIRT5SIRT6
SCHEMBL24860409 0.79 C3AR1 (0.38) C3AR1CTDSP1QRFPRNOD1SIRT5
SCHEMBL14887421 0.78 DPP7 (0.41) C3AR1NOD1SIRT5SIRT6SIRT1
SCHEMBL25448049 0.78 DPP7 (0.41) C3AR1NOD1SIRT5SIRT6SIRT1
SCHEMBL16645050 0.78 DPP7 (0.41) C3AR1NOD1SIRT5SIRT6SIRT1
SCHEMBL19203408 0.77 SIRT5 (0.41) C3AR1CTDSP1NOD1SIRT5SIRT6

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-2023102507-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-08 — — WO disclosed
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