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Sugi Predict / Compounds / SCHEMBL30262196

SCHEMBL30262196

SCHEMBL30262196

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

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 4/20 0.65
▸ GLP1R P43220 13/20 0.63
▸ VIPR2 P41587 6/20 0.62

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
SCHEMBL30567760 0.93 VIPR1 (0.67) VIPR1GLP1RVIPR2
SCHEMBL30176431 0.93 VIPR1 (0.65) VIPR1GLP1RVIPR2
SCHEMBL29854442 0.92 VIPR2 (0.67) VIPR1GLP1RVIPR2
SCHEMBL30495723 0.92 VIPR1 (0.69) VIPR1GLP1RVIPR2
SCHEMBL30437035 0.92 VIPR1 (0.59) VIPR1GLP1RVIPR2
SCHEMBL30262146 0.92 GLP1R (0.64) VIPR1GLP1RVIPR2
SCHEMBL30176463 0.91 GLP1R (0.70) VIPR1GLP1R
SCHEMBL29516852 0.91 VIPR1 (0.70) VIPR1GLP1RVIPR2
SCHEMBL29430436 0.91 VIPR1 (0.70) VIPR1GLP1RVIPR2
SCHEMBL30883219 0.91 TFPI (0.67) VIPR1GLP1R

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-20230040544-A1 COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC) SAREPTA THERAPEUTICS, INC. 2023-02-09 — — US disclosed
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