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Sugi Predict / Compounds / SCHEMBL30429251

SCHEMBL30429251

SCHEMBL30429251

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

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 2/20 0.62
▸ NPY1R P25929 1/20 0.61
▸ NPY2R P49146 1/20 0.61
▸ NPY4R P50391 1/20 0.61
▸ NPY5R Q15761 1/20 0.61
▸ GNRHR P30968 2/20 0.61
▸ GALR2 O43603 1/20 0.60
▸ GALR1 P47211 1/20 0.60
▸ CXCR4 P61073 6/20 0.59
▸ PTGS1 P23219 1/20 0.57
▸ GLP1R P43220 5/20 0.56
▸ RAMP3 O60896 1/20 0.55
▸ CALCR P30988 1/20 0.55
▸ ABCC2 Q92887 1/20 0.55

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
SCHEMBL29992945 0.94 CALCA (0.59) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL30429667 0.93 NMBR (0.60) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL30429448 0.91 GALR2 (0.62) CALCAGALR2GALR1GLP1R
SCHEMBL29535716 0.89 CALCA (0.71) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL29973367 0.88 CXCL8 (0.62) GALR2GALR1GLP1R
Galantide SCHEMBL31332196 0.88 IL23R (0.62) GALR2GALR1GLP1R
SCHEMBL31243350 0.87 NPY1R (0.63) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL13613774 0.86 GALR2 (0.59) CALCAGALR2GALR1GLP1R
SCHEMBL31060386 0.86 CALCA (0.75) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL29972984 0.86 NPY1R (0.65) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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-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-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-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
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