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SCHEMBL9110544

SCHEMBL9110544

CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H]([C]=O)CO)C(C)C)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 10/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.63
▸ PTH1R Q03431 4/20 0.62
▸ NR3C1 P04150 2/20 0.62
▸ TFPI P10646 1/20 0.62
▸ GLP1R P43220 2/20 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
SCHEMBL9109517 0.95 PTH1R (0.65) IL23RRXFP1PTH1RNR3C1GLP1R
SCHEMBL9108788 0.89 PTH1R (0.68) IL23RRXFP1PTH1RNR3C1GLP1R
SCHEMBL9107578 0.87 TFPI (0.75) IL23RRXFP1PTH1RNR3C1TFPI
SCHEMBL30933203 0.86 IL23R (0.64) IL23RRXFP1PTH1RGLP1R
SCHEMBL30567750 0.85 NR3C1 (0.71) IL23RNR3C1GLP1R
SCHEMBL30567741 0.85 NR3C1 (0.72) IL23RNR3C1GLP1R
SCHEMBL29695609 0.84 NR3C1 (0.69) IL23RPTH1RNR3C1GLP1R
SCHEMBL30432454 0.84 PTH1R (0.67) PTH1RGLP1R
SCHEMBL30906455 0.84 GLP1R (0.71) RXFP1PTH1RNR3C1GLP1R
SCHEMBL13881423 0.84 IL23R (0.65) IL23RRXFP1

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
WO-1995008560-A1 NOVEL PEPTIDES USEFUL FOR INHIBITING BINDING OF LIPOPOLYSACCHARIDES (LPS) BY LIPOPOLYSACCHARIDE BINDING PROTEIN (LBP) CENTOCOR, INC. (US) 1995-03-30 — — WO disclosed
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