Sugi Predict

Sugi Predict / Compounds / SCHEMBL29679766

SCHEMBL29679766

SCHEMBL29679766

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.59
▸ NPY4R P50391 8/20 0.59
▸ NPY5R Q15761 8/20 0.59
▸ NPY1R P25929 6/20 0.59
▸ OPRD1 P41143 4/20 0.57
▸ NTSR1 P30989 1/20 0.55
▸ CALCR P30988 2/20 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
SCHEMBL29679774 0.91 OPRD1 (0.57) OPRD1
SCHEMBL29680086 0.91 OPRD1 (0.55) OPRD1NTSR1
SCHEMBL29679908 0.90 OPRD1 (0.57) OPRD1NTSR1
SCHEMBL30437173 0.90 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29679769 0.89 OPRD1 (0.56) OPRD1NTSR1
SCHEMBL30812510 0.88 OPRD1 (0.56) NPY2RNPY4RNPY5RNPY1ROPRD1
SCHEMBL29455113 0.87 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1ROPRD1
SCHEMBL31182783 0.87 CALCR (0.63) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29679653 0.87 OPRD1 (0.56) OPRD1NTSR1
SCHEMBL31683251 0.87 OPRD1 (0.60) OPRD1NTSR1CALCR

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
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
Send feedback