SCHEMBL30691823

SCHEMBL30691823

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 20/20 0.71
▸ ECE1 P42892 1/20 0.66
▸ MUS81 Q96NY9 1/20 0.66

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
SCHEMBL29548460 1.00 GLP1R (0.71) GLP1RECE1MUS81
SCHEMBL30658231 0.92 GLP1R (0.70) GLP1RECE1MUS81
SCHEMBL30887554 0.90 C5AR1 (0.66) GLP1RECE1MUS81
SCHEMBL29942605 0.90 GLP1R (0.84) GLP1R
SCHEMBL28662518 0.90 GLP1R (0.84) GLP1R
SCHEMBL31099271 0.90 GLP1R (0.84) GLP1R
SCHEMBL29431871 0.90 GLP1R (0.84) GLP1R
SCHEMBL29801807 0.90 GLP1R (0.84) GLP1R
SCHEMBL30607448 0.89 GLP1R (0.67) GLP1R
SCHEMBL29604164 0.89 C5AR1 (0.65) GLP1R

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-111164427-B Method for measuring modulation of G protein coupled receptor activity CISBIO生物试验公司 2023-12-19 — — CN disclosed
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