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SCHEMBL30495620

SCHEMBL30495620

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.62
▸ VIPR1 P32241 4/20 0.62
▸ VIPR2 P41587 6/20 0.61
▸ CALCR P30988 4/20 0.60

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
SCHEMBL31183008 0.93 CALCR (0.64) GLP1RCALCR
SCHEMBL31385224 0.92 VIPR1 (0.63) GLP1RVIPR1VIPR2CALCR
SCHEMBL30576930 0.91 KEAP1 (0.61) GLP1RVIPR2CALCR
SCHEMBL30495723 0.91 VIPR1 (0.69) GLP1RVIPR1VIPR2
SCHEMBL31183012 0.90 VIPR1 (0.62) GLP1RVIPR1VIPR2
SCHEMBL29595551 0.90 CALCR (0.68) GLP1RVIPR1CALCR
SCHEMBL30567760 0.90 VIPR1 (0.67) GLP1RVIPR1VIPR2
SCHEMBL30437168 0.90 VIPR2 (0.61) GLP1RVIPR1VIPR2
SCHEMBL29649215 0.89 CALCR (0.64) GLP1RVIPR1VIPR2CALCR
SCHEMBL29516852 0.89 VIPR1 (0.70) GLP1RVIPR1VIPR2

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-20230190887-A1 TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION UNIVERSITY OF SOUTH CAROLINA (US) 2023-06-22 — — US disclosed
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