Sugi Predict

Sugi Predict / Compounds / SCHEMBL29664244

SCHEMBL29664244

SCHEMBL29664244

NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.57
▸ F2 P00734 1/20 0.57
▸ OPRD1 P41143 2/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ POLB P06746 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
SCHEMBL31462032 0.96 OPRM1 (0.61) OPRM1F2OPRD1OPRK1POLB
SCHEMBL29349609 0.90 POLB (0.68) OPRM1F2OPRD1OPRK1POLB
SCHEMBL31316687 0.89 OPRM1 (0.63) OPRM1OPRD1
SCHEMBL29780362 0.88 OPRM1 (0.69) OPRM1OPRD1
SCHEMBL29630582 0.88 GRB2 (0.49) OPRM1F2OPRD1OPRK1
SCHEMBL25214575 0.87 OPRM1 (0.64) OPRM1OPRD1
SCHEMBL29442415 0.87 OPRM1 (0.64) OPRM1OPRD1
SCHEMBL29630585 0.87 SLC6A2 (0.56) OPRM1F2OPRD1OPRK1POLB
SCHEMBL31412199 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL30833622 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145943-B1 PEPTIDES, COMPOSITIONS COMPRISING THEM AND USES IN PARTICULAR COSMETIC USES SEDERMA SA (FR) 2024-03-13 — — EP disclosed
CN-110742822-B Skin whitening anti-aging composition, whitening anti-aging cream containing same and preparation method thereof 广州环亚化妆品科技有限公司 2022-04-01 — — CN disclosed