SCHEMBL31098023

SCHEMBL31098023

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)CC)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.60
▸ OPRM1 P35372 2/20 0.60
▸ OPRK1 P41145 1/20 0.56
▸ CCKAR P32238 3/20 0.54
▸ CCKBR P32239 3/20 0.54
▸ BACE1 P56817 2/20 0.54
▸ GLP1R P43220 3/20 0.53
▸ BACE2 Q9Y5Z0 1/20 0.53
▸ ECE1 P42892 1/20 0.53
▸ MUS81 Q96NY9 1/20 0.53

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
SCHEMBL31038686 0.97 OPRD1 (0.58) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL31672201 0.94 OPRM1 (0.56) OPRD1OPRM1OPRK1BACE1GLP1R
SCHEMBL30644877 0.93 BACE1 (0.60) CCKBRBACE1GLP1RECE1MUS81
SCHEMBL29804763 0.91 OPRM1 (0.57) OPRD1OPRM1OPRK1BACE1GLP1R
SCHEMBL30407947 0.91 OPRM1 (0.55) OPRD1OPRM1OPRK1GLP1R
SCHEMBL30477365 0.91 OPRD1 (0.58) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL30376274 0.90 OPRD1 (0.54) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL31256793 0.90 OPRM1 (0.55) OPRD1OPRM1OPRK1GLP1R
SCHEMBL31257057 0.90 OPRD1 (0.58) OPRD1OPRM1OPRK1BACE1BACE2
SCHEMBL30299009 0.89 OPRM1 (0.55) OPRD1OPRM1OPRK1BACE1GLP1R

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
CN-118852453-A Incretin analogue, preparation method and application thereof 上海多米瑞生物技术有限公司 2024-10-29 — — CN disclosed
Send feedback