SCHEMBL30950137

SCHEMBL30950137

CC(C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.55
▸ GLP1R P43220 9/20 0.54
▸ IL23R Q5VWK5 4/20 0.52
▸ SCTR P47872 1/20 0.52
▸ CALCR P30988 4/20 0.52
▸ CRHR1 P34998 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ CCKBR P32239 1/20 0.50

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
SCHEMBL29499672 0.88 CALCR (0.55) TFPIGLP1RIL23RSCTRCALCR
SCHEMBL30512715 0.87 TFPI (0.48) TFPIGLP1RSCTRCALCRCRHR1
SCHEMBL31031469 0.86 BACE1 (0.52) GLP1RSCTRCALCR
SCHEMBL29499670 0.86 CALCR (0.56) TFPIGLP1RSCTRCALCRCRHR1
SCHEMBL30512688 0.86 TFPI (0.55) TFPIGLP1RSCTRCALCRCRHR1
SCHEMBL30974069 0.85 OPRD1 (0.51) GLP1RSCTRCALCRCCKBR
SCHEMBL30524368 0.85 GLP1R (0.55) TFPIGLP1RSCTRCALCR
SCHEMBL30175851 0.85 GLP1R (0.61) TFPIGLP1RSCTR
SCHEMBL31291000 0.84 GLP1R (0.69) GLP1RSCTR
SCHEMBL30148474 0.84 GLP1R (0.67) GLP1RSCTRCALCR

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-3565585-B1 THERAPEUTIC METHOD USING DOSE ESCALATION PROTOCOL FOR TOLEROGENIC PEPTIDES WORG PHARMACEUTICALS ZHEJIANG CO LTD (CN) 2024-11-13 — — EP disclosed
EP-3565570-B1 COMPOSITION WORG PHARMACEUTICALS ZHEJIANG CO LTD (CN) 2024-07-03 — — EP disclosed
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