SCHEMBL30320494

SCHEMBL30320494

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](N)Cc1ccc(O)cc1)[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)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 3/20 0.59
▸ VIPR2 P41587 5/20 0.58
▸ TFPI P10646 1/20 0.58
▸ GLP1R P43220 2/20 0.57
▸ OPRM1 P35372 1/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ OPRK1 P41145 1/20 0.56

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
SCHEMBL29379948 0.92 VIPR1 (0.61) VIPR1VIPR2TFPIGLP1ROPRM1
SCHEMBL30432232 0.92 VIPR1 (0.65) VIPR1VIPR2TFPIGLP1R
SCHEMBL31397582 0.90 TFPI (0.60) VIPR1VIPR2TFPIGLP1R
SCHEMBL31575683 0.90 VIPR1 (0.61) VIPR1VIPR2GLP1R
SCHEMBL30567445 0.90 TFPI (0.61) VIPR1VIPR2TFPIGLP1R
SCHEMBL30432094 0.89 VIPR1 (0.61) VIPR1VIPR2TFPIGLP1R
SCHEMBL30844083 0.89 OPRM1 (0.61) VIPR1TFPIOPRM1OPRD1OPRK1
SCHEMBL31688303 0.89 GLP1R (0.56) VIPR1VIPR2TFPIGLP1ROPRM1
SCHEMBL31312694 0.88 OPRM1 (0.65) GLP1ROPRM1OPRD1OPRK1
SCHEMBL30387150 0.88 VIPR2 (0.62) VIPR1VIPR2TFPIGLP1ROPRM1

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-111269289-B Tumor cell affinity peptide separated from venenum bufonis and screening method thereof 南京中医药大学 2023-04-18 — — CN disclosed
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