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Sugi Predict / Compounds / SCHEMBL31575683

SCHEMBL31575683

SCHEMBL31575683

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

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 3/20 0.61
▸ VIPR2 P41587 5/20 0.60
▸ GLP1R P43220 3/20 0.59
▸ CALCR P30988 3/20 0.59
▸ CCKBR P32239 1/20 0.59
▸ CRHR1 P34998 1/20 0.59
▸ CRHR2 Q13324 1/20 0.59
▸ BACE1 P56817 1/20 0.58

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
SCHEMBL30567786 0.93 TFPI (0.58) VIPR1VIPR2GLP1RCALCRCCKBR
SCHEMBL31575700 0.92 TFPI (0.55) VIPR1VIPR2GLP1RCCKBRCRHR1
SCHEMBL30436623 0.91 VIPR1 (0.63) VIPR1VIPR2GLP1RCALCRCCKBR
SCHEMBL30567445 0.91 TFPI (0.61) VIPR1VIPR2GLP1R
SCHEMBL29609357 0.91 TFPI (0.64) VIPR1VIPR2GLP1RCALCRCCKBR
SCHEMBL30567733 0.91 CALCR (0.57) VIPR1GLP1RCALCRCCKBRCRHR1
SCHEMBL29379948 0.91 VIPR1 (0.61) VIPR1VIPR2GLP1R
SCHEMBL30320494 0.90 VIPR1 (0.59) VIPR1VIPR2GLP1R
SCHEMBL30428639 0.90 BACE1 (0.56) VIPR1VIPR2GLP1RCRHR1CRHR2
SCHEMBL30432094 0.90 VIPR1 (0.61) VIPR1VIPR2GLP1R

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-120019812-A Artificial toad venom composition and application thereof 南京中医药大学 2025-05-20 — — CN claimed
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