SCHEMBL30565410

SCHEMBL30565410

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.56
▸ NTSR2 O95665 1/20 0.55
▸ NTSR1 P30989 1/20 0.55
▸ SORT1 Q99523 1/20 0.55
▸ CAPN1 P07384 2/20 0.55
▸ CTSB P07858 2/20 0.55
▸ CXCR4 P61073 2/20 0.54
▸ CTNNB1 P35222 2/20 0.54
▸ KISS1R Q969F8 4/20 0.54
▸ DPP3 Q9NY33 5/20 0.54
▸ SLC6A2 P23975 1/20 0.52
▸ IL23R Q5VWK5 1/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CTSH P09668 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 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
SCHEMBL30582469 0.94 CTSL (0.57) C5AR1NTSR2NTSR1SORT1CAPN1
SCHEMBL31729497 0.92 SLC6A2 (0.62) C5AR1KISS1RDPP3SLC6A2IL23R
SCHEMBL29500468 0.90 C5AR1 (0.59) C5AR1NTSR2NTSR1SORT1CXCR4
SCHEMBL31290071 0.90 CXCR4 (0.61) C5AR1NTSR2NTSR1SORT1CAPN1
SCHEMBL30205377 0.90 CXCR4 (0.61) C5AR1CXCR4KISS1RSLC6A2IL23R
SCHEMBL29463744 0.90 KISS1R (0.60) C5AR1NTSR2NTSR1SORT1CAPN1
SCHEMBL30343340 0.90 C5AR1 (0.60) C5AR1NTSR2NTSR1SORT1CXCR4
SCHEMBL31376716 0.89 CXCR4 (0.55) C5AR1NTSR2NTSR1SORT1CXCR4
SCHEMBL29435102 0.89 KISS1R (0.58) C5AR1NTSR2NTSR1SORT1CAPN1
SCHEMBL31593371 0.89 CXCR4 (0.60) C5AR1NTSR2NTSR1SORT1CXCR4

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-116789750-B Polypeptide for preventing and/or treating cervical cancer and application thereof 中国农业大学 2023-11-10 — — CN disclosed
CN-116789750-A Polypeptide for preventing and/or treating cervical cancer and application thereof 中国农业大学 2023-09-22 — — CN disclosed
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