SCHEMBL30388309

SCHEMBL30388309

C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 7/20 0.53
▸ CXCR4 P61073 3/20 0.52
▸ GLP1R P43220 3/20 0.51
▸ KEAP1 Q14145 1/20 0.51
▸ CTSL P07711 3/20 0.50
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 3/20 0.50
▸ CTSH P09668 1/20 0.50
▸ GRPR P30550 1/20 0.49

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
SCHEMBL29484320 0.97 IL23R (0.53) IL23RCXCR4GLP1RKEAP1CTSL
SCHEMBL29489380 0.94 CTSL (0.53) IL23RCXCR4GLP1RKEAP1CTSL
SCHEMBL30208638 0.94 GLP1R (0.57) IL23RCXCR4GLP1R
SCHEMBL30338573 0.92 GLP1R (0.54) IL23RCXCR4GLP1RKEAP1CTSL
SCHEMBL29484311 0.91 GLP1R (0.56) IL23RGLP1RKEAP1CTSLCTSS
SCHEMBL30496771 0.90 CTSL (0.50) IL23RCXCR4GLP1RKEAP1CTSL
SCHEMBL29670416 0.90 CTSL (0.50) IL23RCXCR4GLP1RCTSLCTSS
SCHEMBL29484310 0.89 CTSL (0.53) IL23RCXCR4GLP1RKEAP1CTSL
SCHEMBL30183034 0.89 GLP1R (0.55) IL23RCXCR4GLP1RCTSLCTSS
SCHEMBL29484321 0.88 CTSL (0.52) IL23RCXCR4GLP1RCTSLCTSS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118217402-A Combination therapy for C3 inhibition 阿佩利斯制药有限公司 2024-06-21 — — CN disclosed
CN-117503905-A dosing regimen 阿佩利斯制药有限公司 2024-02-06 — — CN disclosed
CN-110882376-B Cell-reactive, long-acting or targeted compstatin analogs and related compositions and methods 阿佩利斯制药公司 2023-10-20 — — CN disclosed
CN-116059313-A Dosing regimen and related compositions and methods 阿佩利斯制药有限公司 2023-05-05 — — CN disclosed
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