SCHEMBL31591524

SCHEMBL31591524

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.65
▸ CTSL P07711 3/20 0.59
▸ CTSS P25774 3/20 0.59
▸ CTSK P43235 3/20 0.59
▸ CTSH P09668 1/20 0.59
▸ CXCR4 P61073 11/20 0.59
▸ IL23R Q5VWK5 1/20 0.55
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ SORT1 Q99523 1/20 0.52
▸ MC4R P32245 1/20 0.51
▸ MC5R P33032 1/20 0.51
▸ MC3R P41968 1/20 0.51
▸ MC1R Q01726 1/20 0.51

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
SCHEMBL29660777 0.88 C5AR1 (0.79) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29660814 0.88 C5AR1 (0.79) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30518053 0.88 C5AR1 (0.65) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL9822027 0.86 C5AR1 (0.76) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL9821938 0.86 C5AR1 (0.76) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30788337 0.86 CXCR4 (0.62) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29812307 0.86 C5AR1 (0.61) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29484172 0.85 C5AR1 (0.59) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL31065167 0.85 C5AR1 (0.62) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL31694509 0.85 C5AR1 (0.73) C5AR1CTSLCTSSCTSKCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120036308-A Deodorizing and disinfecting spray composition and preparation method and application thereof 奥洁玛(北京)生物科技有限公司 2025-05-27 — — CN claimed
CN-120036308-A Deodorizing and disinfecting spray composition and preparation method and application thereof 奥洁玛(北京)生物科技有限公司 2025-05-27 — — CN disclosed
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