Sugi Predict

Sugi Predict / Compounds / SCHEMBL29772689

SCHEMBL29772689

SCHEMBL29772689

CC(C)COc1ccc(C[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.64
▸ SLC6A2 P23975 1/20 0.52
▸ OPRM1 P35372 3/20 0.52
▸ KISS1R Q969F8 1/20 0.50
▸ OPRD1 P41143 2/20 0.50
▸ NTSR2 O95665 1/20 0.49
▸ NTSR1 P30989 1/20 0.49
▸ SORT1 Q99523 1/20 0.49
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL29772690 1.00 DPP3 (0.64) DPP3SLC6A2OPRM1KISS1ROPRD1
SCHEMBL30833603 0.90 DPP3 (0.63) DPP3SLC6A2OPRM1KISS1ROPRD1
SCHEMBL30833604 0.90 DPP3 (0.63) DPP3SLC6A2OPRM1KISS1ROPRD1
SCHEMBL30288104 0.88 DPP3 (0.71) DPP3SLC6A2OPRM1KISS1RNTSR2
SCHEMBL30424046 0.87 DPP3 (0.67) DPP3SLC6A2OPRM1
SCHEMBL29572021 0.86 DPP3 (0.71) DPP3SLC6A2NTSR2NTSR1SORT1
SCHEMBL32681272 0.85 DPP3 (0.62) DPP3KISS1RNTSR2NTSR1SORT1
SCHEMBL29772691 0.85 DPP3 (0.63) DPP3SLC6A2OPRM1OPRD1OPRK1
SCHEMBL30052255 0.85 DPP3 (0.69) DPP3OPRM1OPRD1OPRK1
SCHEMBL30051395 0.83 DPP3 (0.59) DPP3OPRM1

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-2022150167-A2 NOVEL MACROCYCLIC OPIOID PEPTIDES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-07-14 — — WO disclosed