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SCHEMBL29972780

SCHEMBL29972780

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.63
▸ GLP1R P43220 8/20 0.58
▸ SCTR P47872 1/20 0.58
▸ VIPR2 P41587 4/20 0.57
▸ VIPR1 P32241 3/20 0.57
▸ GCGR P47871 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
SCHEMBL29592929 1.00 TFPI (0.63) TFPIGLP1RSCTRVIPR2VIPR1
SCHEMBL30974396 0.95 TFPI (0.60) TFPIGLP1RSCTRVIPR2VIPR1
SCHEMBL29903355 0.94 GLP1R (0.65) TFPIGLP1RSCTRVIPR2VIPR1
SCHEMBL30974518 0.93 TFPI (0.62) TFPIGLP1RSCTRVIPR2VIPR1
SCHEMBL31182709 0.92 GLP1R (0.65) TFPIGLP1RSCTRVIPR1GCGR
SCHEMBL8973636 0.92 TFPI (0.62) TFPIGLP1RSCTRVIPR2VIPR1
SCHEMBL31005069 0.92 TFPI (0.64) TFPIGLP1RSCTRVIPR1GCGR
SCHEMBL8973422 0.92 TFPI (0.61) TFPIGLP1RSCTRVIPR2VIPR1
SCHEMBL8973446 0.92 TFPI (0.61) TFPIGLP1RSCTRVIPR2VIPR1
SCHEMBL29871066 0.92 VIPR2 (0.56) TFPIGLP1RSCTRVIPR2VIPR1

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
EP-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 — — EP disclosed
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