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SCHEMBL30836920

SCHEMBL30836920

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.66
▸ GLP1R P43220 10/20 0.63
▸ VIPR1 P32241 2/20 0.60
▸ ECE1 P42892 1/20 0.59
▸ MUS81 Q96NY9 1/20 0.59
▸ GCGR P47871 1/20 0.58
▸ GIPR P48546 1/20 0.58
▸ NR3C1 P04150 2/20 0.57
▸ VIPR2 P41587 1/20 0.57
▸ SCTR P47872 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
SCHEMBL30271991 0.99 TFPI (0.66) TFPIGLP1RVIPR1ECE1MUS81
SCHEMBL30271990 0.98 TFPI (0.67) TFPIGLP1RVIPR1ECE1MUS81
SCHEMBL30861920 0.97 TFPI (0.65) TFPIGLP1RVIPR1ECE1MUS81
SCHEMBL30721553 0.96 TFPI (0.66) TFPIGLP1RVIPR1ECE1MUS81
SCHEMBL29373682 0.96 TFPI (0.68) TFPIGLP1RVIPR1ECE1MUS81
SCHEMBL30120636 0.94 TFPI (0.66) TFPIGLP1RVIPR1NR3C1
SCHEMBL30721600 0.94 TFPI (0.64) TFPIGLP1RVIPR1ECE1MUS81
SCHEMBL30576973 0.93 GLP1R (0.64) TFPIGLP1RVIPR1
SCHEMBL30874390 0.93 TFPI (0.63) TFPIGLP1RVIPR1ECE1MUS81
SCHEMBL30139565 0.93 GLP1R (0.72) TFPIGLP1RGCGRGIPRSCTR

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-4345104-A1 METHOD FOR PREPARING LIRAGLUTIDE Bachem Holding AG (CH) 2024-04-03 — — EP disclosed
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