SCHEMBL29437935

SCHEMBL29437935

CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.58
▸ CAPN1 P07384 2/20 0.58
▸ CTSB P07858 2/20 0.58
▸ CXCR4 P61073 2/20 0.53
▸ NTSR2 O95665 1/20 0.51
▸ NTSR1 P30989 1/20 0.51
▸ SORT1 Q99523 1/20 0.51
▸ OPRM1 P35372 1/20 0.49
▸ C5AR1 P21730 1/20 0.48
▸ KISS1R Q969F8 1/20 0.48
▸ CXCL8 P10145 1/20 0.48
▸ CCKBR P32239 4/20 0.47

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
SCHEMBL29437939 0.96 CAPN1 (0.60) DPP3CAPN1CTSBCXCR4NTSR2
SCHEMBL30224116 0.94 CAPN1 (0.64) DPP3CAPN1CTSBCXCR4NTSR2
SCHEMBL29437937 0.92 CAPN1 (0.63) DPP3CAPN1CTSBCXCR4NTSR2
SCHEMBL30477480 0.90 CAPN1 (0.65) DPP3CAPN1CTSBCXCR4NTSR2
SCHEMBL29575470 0.88 DPP3 (0.61) DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL30827785 0.85 DPP3 (0.60) DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL29713766 0.85 DPP3 (0.63) DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL29437938 0.85 CAPN1 (0.61) DPP3CAPN1CTSBCXCR4NTSR2
SCHEMBL10599944 0.85 DPP3 (0.57) DPP3OPRM1KISS1RCXCL8CCKBR
SCHEMBL10599958 0.85 DPP3 (0.57) DPP3OPRM1KISS1RCXCL8CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022025093-A1 CANCER PEPTIDE VACCINE AND METHOD FOR PRODUCING SAME ブライトパス・バイオ株式会社 2022-02-03 — — WO claimed
WO-2023013755-A1 CANCER PEPTIDE VACCINE COCKTAIL FORMULATION AMD METHOD FOR PRODUCING SAME ブライトパス・バイオ株式会社 2023-02-09 — — WO disclosed
WO-2022025093-A1 CANCER PEPTIDE VACCINE AND METHOD FOR PRODUCING SAME ブライトパス・バイオ株式会社 2022-02-03 — — WO disclosed
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