SCHEMBL31376716

SCHEMBL31376716

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 4/20 0.55
▸ DPP3 Q9NY33 3/20 0.53
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CTSH P09668 1/20 0.52
▸ KISS1R Q969F8 3/20 0.52
▸ C5AR1 P21730 1/20 0.52
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ SORT1 Q99523 1/20 0.52
▸ TACR1 P25103 1/20 0.50
▸ OPRM1 P35372 2/20 0.49
▸ IL23R Q5VWK5 1/20 0.49
▸ CTNNB1 P35222 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
SCHEMBL30307184 0.93 CXCR4 (0.56) CXCR4DPP3CTSLCTSSCTSK
SCHEMBL29500468 0.92 C5AR1 (0.59) CXCR4DPP3CTSLCTSSCTSK
SCHEMBL30597309 0.91 DPP3 (0.57) CXCR4DPP3CTSLCTSSCTSK
SCHEMBL29476405 0.90 KISS1R (0.55) CXCR4DPP3CTSLCTSSCTSK
SCHEMBL29476509 0.90 KISS1R (0.55) CXCR4DPP3CTSLCTSSCTSK
SCHEMBL31411094 0.90 C5AR1 (0.63) CXCR4DPP3KISS1RC5AR1NTSR2
SCHEMBL17642339 0.90 CTSL (0.57) CXCR4DPP3CTSLCTSSCTSK
SCHEMBL31290071 0.90 CXCR4 (0.61) CXCR4DPP3CTSLCTSSCTSK
SCHEMBL31620052 0.89 C5AR1 (0.57) CXCR4DPP3KISS1RC5AR1NTSR2
SCHEMBL29476485 0.89 DPP3 (0.55) CXCR4DPP3KISS1RC5AR1NTSR2

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
CN-119455002-A Medicine based on protein peptide carrier and preparation method thereof 深圳市罗湖区人民医院 2025-02-18 — — CN claimed
CN-119455002-A Medicine based on protein peptide carrier and preparation method thereof 深圳市罗湖区人民医院 2025-02-18 — — CN disclosed
CN-119455002-A Medicine based on protein peptide carrier and preparation method thereof 深圳市罗湖区人民医院 2025-02-18 — — CN disclosed
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