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SCHEMBL30116705

SCHEMBL30116705

CC(C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](CCCCN)C(=O)NCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.66
▸ OPRL1 P41146 5/20 0.63
▸ NR3C1 P04150 2/20 0.59
▸ VIPR1 P32241 1/20 0.59
▸ IL23R Q5VWK5 3/20 0.58
▸ ECE1 P42892 1/20 0.57
▸ GLP1R P43220 1/20 0.57
▸ MUS81 Q96NY9 1/20 0.57

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
SCHEMBL29395525 0.94 VIPR1 (0.62) TFPIOPRL1VIPR1ECE1GLP1R
SCHEMBL29580308 0.91 TFPI (0.68) TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL30012720 0.91 TFPI (0.68) TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL29531101 0.91 TFPI (0.69) TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL29826865 0.91 TFPI (0.66) TFPINR3C1IL23R
SCHEMBL30434320 0.91 TFPI (0.66) TFPINR3C1IL23R
SCHEMBL30880908 0.90 VIPR1 (0.62) TFPIOPRL1VIPR1ECE1GLP1R
SCHEMBL30538334 0.89 TFPI (0.67) TFPIOPRL1NR3C1VIPR1ECE1
SCHEMBL29364983 0.89 TFPI (0.63) TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL31031569 0.89 TFPI (0.66) TFPIOPRL1VIPR1IL23R

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-4096697-A1 PEPTIDES USEFUL IN PRESERVATION AND/OR RESTORATION OF FUNCTIONAL PANCREATIC ISLETS AND IN TREATING DIABETES The National Institute for Biotechnology in the Negev Ltd. (IL) 2022-12-07 — — EP disclosed
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