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SCHEMBL30712893

SCHEMBL30712893

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.46
▸ PRMT1 Q99873 1/20 0.44
▸ NTSR2 O95665 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ GLP1R P43220 3/20 0.41
▸ CALCR P30988 4/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ F2 P00734 3/20 0.41
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL30136891 0.87 CALCR (0.50) GLP1RCALCR
SCHEMBL31180771 0.87 NTSR2 (0.46) NTSR2NTSR1F2BACE1
SCHEMBL29794243 0.86 GLP1R (0.52) GLP1RCALCRF2
SCHEMBL30608550 0.86 OPRL1 (0.44) C5AR1GLP1RCALCR
SCHEMBL30524353 0.86 GLP1R (0.48) GLP1RCALCRF2
SCHEMBL30810354 0.84 GLP1R (0.43) GLP1RCALCRBACE1
SCHEMBL31256965 0.84 BACE1 (0.48) GLP1RCALCRBACE1
SCHEMBL31548691 0.84 GLP1R (0.48) GLP1RCALCR
SCHEMBL15023740 0.83 SLC15A2 (0.49) C5AR1PRMT1NTSR2NTSR1
SCHEMBL15023741 0.83 SLC15A2 (0.49) C5AR1PRMT1NTSR2NTSR1

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-20240003881-A1 SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-01-04 — — US disclosed
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