SCHEMBL30262147

SCHEMBL30262147

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](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 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 19/20 0.68
▸ NPBWR1 P48145 1/20 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
SCHEMBL30242111 0.94 IL23R (0.59) IL23RNPBWR1
SCHEMBL30518083 0.90 NPBWR1 (0.64) IL23RNPBWR1
SCHEMBL30235118 0.90 IL23R (0.67) IL23RNPBWR1
SCHEMBL30607741 0.90 IL23R (0.62) IL23RNPBWR1
SCHEMBL30523600 0.90 IL23R (0.62) IL23RNPBWR1
SCHEMBL30092947 0.89 IL23R (0.59) IL23RNPBWR1
SCHEMBL30262161 0.89 IL23R (0.63) IL23RNPBWR1
SCHEMBL30874386 0.89 RXFP1 (0.58) IL23RNPBWR1
SCHEMBL29386197 0.89 GLP1R (0.62) IL23RNPBWR1
Tachyplesin Iii SCHEMBL29458037 0.89 IL23R (0.72) IL23R

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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