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SCHEMBL31182812

SCHEMBL31182812

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O)C(C)(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.65
▸ NPY4R P50391 8/20 0.65
▸ NPY5R Q15761 8/20 0.65
▸ NPY1R P25929 6/20 0.65
▸ CALCR P30988 6/20 0.64
▸ GLP1R P43220 1/20 0.60
▸ RAMP3 O60896 2/20 0.60
▸ RAMP1 O60894 1/20 0.60
▸ RAMP2 O60895 1/20 0.60
▸ CALCRL Q16602 1/20 0.60
▸ TFPI P10646 1/20 0.58
▸ C5AR1 P21730 1/20 0.58
▸ HCRTR1 O43613 1/20 0.58
▸ HCRTR2 O43614 1/20 0.58

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
SCHEMBL30567711 0.91 CALCR (0.60) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30495653 0.90 CALCR (0.66) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658369 0.89 CALCR (0.66) CALCRGLP1R
SCHEMBL29811050 0.88 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182654 0.88 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29522561 0.88 CALCR (0.69) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658223 0.88 CALCR (0.65) CALCRGLP1R
SCHEMBL30658206 0.88 CALCR (0.68) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182473 0.87 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30431782 0.87 CALCR (0.65) NPY2RNPY4RNPY5RNPY1RCALCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240350475-A1 TRIGONELLINE MITIGATES CARDIOMYOPATHY CAUSED BY SARS-COV-2 SPIKE PROTEIN UNDER OBESITY UNIVERSITY OF SOUTH CAROLINA (US) 2024-10-24 — — US disclosed
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