SCHEMBL29992945

SCHEMBL29992945

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)[C@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)CO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 2/20 0.59
▸ GNRHR P30968 2/20 0.58
▸ NPY1R P25929 1/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ NPY5R Q15761 1/20 0.58
▸ PTGS1 P23219 1/20 0.56
▸ GALR2 O43603 1/20 0.56
▸ GALR1 P47211 1/20 0.56
▸ CXCR4 P61073 5/20 0.56
▸ KISS1R Q969F8 3/20 0.54
▸ ABCC2 Q92887 1/20 0.53
▸ CXCL8 P10145 1/20 0.53

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
SCHEMBL30429251 0.94 CALCA (0.62) CALCAGNRHRNPY1RNPY2RNPY4R
SCHEMBL30429448 0.86 GALR2 (0.62) CALCAGALR2GALR1KISS1RCXCL8
SCHEMBL30429667 0.86 NMBR (0.60) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL29535716 0.86 CALCA (0.71) CALCAGNRHRNPY1RNPY2RNPY4R
SCHEMBL31243350 0.85 NPY1R (0.63) CALCAGNRHRNPY1RNPY2RNPY4R
SCHEMBL13613774 0.84 GALR2 (0.59) CALCAGALR2GALR1
SCHEMBL29973367 0.84 CXCL8 (0.62) GALR2GALR1CXCL8
Galantide SCHEMBL31332196 0.84 IL23R (0.62) GALR2GALR1CXCL8
SCHEMBL31060386 0.82 CALCA (0.75) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL30041162 0.81 CALCA (0.64) CALCANPY1RNPY2RNPY4RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302171-A Lymphocyte populations and methods for producing the same AVM生物技术有限责任公司 2024-07-05 — — CN disclosed
US-11986513-B2 GAL(1-15) and analogues thereof for use in the prevention and/or treatment of alcohol-related effects and disorders UNIVERSIDAD DE MÁLAGA (ES) 2024-05-21 — — US disclosed
US-20240115700-A1 CANCER TREATMENT COMBINATIONS UNIV CALIFORNIA (US) 2024-04-11 — — US disclosed
CN-117126746-A Filamentous fungus biological mats, methods of producing and using the same 芬德集团公司 2023-11-28 — — CN disclosed
CN-109153964-B Filamentous fungus biological mats, methods of producing and using the same 芬德集团公司 2023-06-13 — — CN disclosed
US-20230158115-A1 GAL(1-15) AND ANALOGUES THEREOF FOR USE IN THE PREVENTION AND/OR TREATMENT OF ALCOHOL-RELATED EFFECTS AND DISORDERS UNIVERSIDAD DE MÁLAGA (ES) 2023-05-25 — — US disclosed
US-11654193-B2 Cancer treatment combinations THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-23 — — US disclosed
CN-115516085-A Lymphocyte populations and methods for producing same AVM生物技术有限责任公司 2022-12-23 — — CN disclosed
CN-115104440-A Seedling growing method for promoting cuttage rooting of agilawood branches 中国热带农业科学院热带生物技术研究所 2022-09-27 — — CN disclosed
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