Sugi Predict

Sugi Predict / Compounds / SCHEMBL30262164

SCHEMBL30262164

SCHEMBL30262164

CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.62
▸ NPY2R P49146 8/20 0.59
▸ NPY4R P50391 8/20 0.59
▸ NPY5R Q15761 8/20 0.59
▸ NPY1R P25929 6/20 0.59
▸ RAMP3 O60896 3/20 0.58
▸ CALCR P30988 3/20 0.58
▸ EP300 Q09472 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ CALCRL Q16602 1/20 0.58
▸ KDM1A O60341 3/20 0.58
▸ MAOB P27338 1/20 0.57
▸ KDM5A P29375 1/20 0.57
▸ KDM1B Q8NB78 1/20 0.57
▸ TFPI P10646 1/20 0.55

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
SCHEMBL29396082 0.91 RAMP3 (0.64) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31027702 0.90 EPHA2 (0.65) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30607338 0.90 NPY2R (0.64) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30640886 0.89 RAMP3 (0.63) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30834205 0.89 NPY2R (0.66) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182494 0.89 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31307252 0.88 EPHA2 (0.63) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182516 0.88 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL29396808 0.88 RAMP3 (0.60) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30804652 0.87 KDM1A (0.60) EPHA2NPY2RNPY4RNPY5RNPY1R

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
Send feedback