SCHEMBL29658175

SCHEMBL29658175

O=C(O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 5/20 0.42
▸ GRB2 P62993 1/20 0.38
▸ DPP4 P27487 3/20 0.38
▸ DPP8 Q6V1X1 2/20 0.38
▸ FAP Q12884 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ CTSB P07858 2/20 0.37
▸ REN P00797 1/20 0.36
▸ NTSR2 O95665 1/20 0.36

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
SCHEMBL29408003 0.91 DPP4 (0.45) DPP4DPP8FAPDPP9DPP7
SCHEMBL29397226 0.90 DPP4 (0.44) CAPN1GRB2DPP4DPP8FAP
SCHEMBL30159321 0.90 CAPN1 (0.43) CAPN1CTSBREN
SCHEMBL29397117 0.88 DPP4 (0.46) CAPN1DPP4DPP8FAPDPP9
SCHEMBL29658176 0.86 GRB2 (0.44) CAPN1GRB2RENNTSR2
SCHEMBL30066756 0.86 NTSR2 (0.46) CAPN1RENNTSR2
SCHEMBL31140016 0.85 CAPN1 (0.41) CAPN1GRB2REN
SCHEMBL29669249 0.84 REN (0.45) GRB2RENNTSR2
SCHEMBL31399255 0.83 REN (0.44) GRB2RENNTSR2
SCHEMBL30395175 0.83 REN (0.39) CAPN1CTSBREN

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-114478744-A Long-acting GLP-1 antagonist 成都奥达生物科技有限公司 2022-05-13 — — CN disclosed
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