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Sugi Predict / Compounds / SCHEMBL30262247

SCHEMBL30262247

SCHEMBL30262247

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.62
▸ CALCR P30988 7/20 0.58
▸ RAMP3 O60896 6/20 0.58
▸ F2 P00734 4/20 0.56
▸ NMUR2 Q9GZQ4 3/20 0.56
▸ NMUR1 Q9HB89 3/20 0.56
▸ APLNR P35414 1/20 0.55
▸ MC4R P32245 1/20 0.54

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
SCHEMBL30262180 0.91 F2 (0.59) C5AR1CALCRRAMP3F2NMUR2
SCHEMBL29588650 0.88 MC4R (0.64) CALCRRAMP3F2MC4R
SCHEMBL29362632 0.88 APLNR (0.61) C5AR1CALCRRAMP3F2NMUR2
SCHEMBL29860218 0.87 MC4R (0.64) CALCRRAMP3F2MC4R
SCHEMBL29903333 0.87 APLNR (0.61) C5AR1CALCRRAMP3F2NMUR2
SCHEMBL30432277 0.87 CALCR (0.61) CALCRRAMP3MC4R
SCHEMBL29836372 0.86 C5AR1 (0.63) C5AR1CALCRRAMP3
SCHEMBL30906003 0.86 C5AR1 (0.57) C5AR1CALCRRAMP3APLNRMC4R
SCHEMBL29679615 0.86 RAMP3 (0.60) C5AR1CALCRRAMP3F2NMUR2
SCHEMBL30906000 0.86 C5AR1 (0.58) C5AR1CALCRRAMP3APLNRMC4R

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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