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SCHEMBL29851285

SCHEMBL29851285

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC1C=NC=N1)[C@@H](C)CC

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 4/20 0.64
▸ NPY1R P25929 1/20 0.63
▸ NPY2R P49146 1/20 0.63
▸ NPY4R P50391 1/20 0.63
▸ NPY5R Q15761 1/20 0.63
▸ GLP1R P43220 13/20 0.62
▸ CCKBR P32239 2/20 0.62

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
SCHEMBL30485540 0.90 NPY1R (0.68) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182522 0.88 NPY2R (0.71) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29506773 0.87 CXCR4 (0.64) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658240 0.87 NPY2R (0.74) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658333 0.87 NPY2R (0.73) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31683347 0.87 NPY2R (0.71) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30485538 0.87 CXCR4 (0.69) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30887982 0.86 NPY1R (0.70) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906424 0.86 NPY2R (0.70) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30824296 0.86 NPY2R (0.74) CXCR4NPY1RNPY2RNPY4RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114632071-A Liposome nano-particle and preparation method and application thereof 长春工业大学 2022-06-17 — — CN claimed
US-20240050496-A1 PROBIOTIC COMPOSITION STELLENBOSCH UNIVERSITY (ZA) 2024-02-15 — — US disclosed
US-11833179-B2 Probiotic composition STELLENBOSCH UNIVERSITY (ZA) 2023-12-05 — — US disclosed
US-20230287394-A1 BARCODABLE EXCHANGEABLE PEPTIDE-MHC MULTIMER LIBRARIES REPERTOIRE IMMUNE MEDICINES INC (US) 2023-09-14 — — US disclosed
US-20230265157-A1 MHC MULTIMER EXPRESSION CONSTRUCTS AND USES THEREOF Repertoire Immune Medicines, Inc. 2023-08-24 — — US disclosed
CN-116157149-A Modified mycobacterium bovis vaccine 瓦洛治疗公司 2023-05-23 — — CN disclosed
CN-114632071-A Liposome nano-particle and preparation method and application thereof 长春工业大学 2022-06-17 — — CN disclosed
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