SCHEMBL29693043

SCHEMBL29693043

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C)[C@@H](C)CC

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.58
▸ CRHR1 P34998 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ CALCR P30988 3/20 0.57
▸ NPY2R P49146 8/20 0.55
▸ NPY4R P50391 8/20 0.55
▸ NPY5R Q15761 8/20 0.55
▸ NPY1R P25929 6/20 0.55
▸ AGTR2 P50052 3/20 0.53
▸ AGTR1 P30556 2/20 0.53
▸ CXCL8 P10145 2/20 0.53
▸ TFPI P10646 1/20 0.52

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
SCHEMBL30363005 1.00 BACE1 (0.58) BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL30761771 1.00 BACE1 (0.58) BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL30362923 1.00 BACE1 (0.58) BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL30362943 1.00 BACE1 (0.58) BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL30363072 1.00 BACE1 (0.58) BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL29626845 1.00 BACE1 (0.58) BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL30362994 0.99 BACE1 (0.58) BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL30363074 0.99 BACE1 (0.58) BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL29501059 0.99 BACE1 (0.59) BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL30362874 0.99 CALCR (0.58) BACE1CRHR1CRHR2CALCRNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118006593-B Microbial composition for enhancing sewage denitrification based on quorum sensing and application thereof 福瑞莱环保科技(深圳)股份有限公司 2025-02-11 — — CN disclosed
CN-118620864-B Acyltransferase, bacterium containing acyltransferase, and preparation method and application of bacterium 深圳大学 2024-11-26 — — CN disclosed
CN-118620864-A Acyltransferase, bacterium containing acyltransferase, and preparation method and application of bacterium 深圳大学 2024-09-10 — — CN disclosed
CN-116024144-B Marine source yellow Qian Peiyuan bacterium and application thereof in preparation of antibacterial drugs 青岛农业大学 2024-06-11 — — CN disclosed
CN-118006593-A Microbial composition for enhancing sewage denitrification based on quorum sensing and application thereof 福瑞莱环保科技(深圳)股份有限公司 2024-05-10 — — CN disclosed
CN-114736820-B Pseudomonas orange strain and application thereof 青岛农业大学 2023-06-27 — — CN disclosed
CN-116162128-A Nucleoside derivative for resisting virus infection and preparation method and application thereof 知和(山东)大药厂有限公司 2023-05-26 — — CN disclosed
CN-116024144-A Marine source yellow Qian Peiyuan bacterium and application thereof in preparation of antibacterial drugs 青岛农业大学 2023-04-28 — — CN disclosed
CN-114774310-A Pseudoalteromonas strain and application thereof 青岛农业大学 2022-07-22 — — CN disclosed
CN-114736820-A Orange pseudoalteromonas strain and application thereof 青岛农业大学 2022-07-12 — — CN disclosed
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