SCHEMBL30598172

SCHEMBL30598172

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

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 4/20 0.63
▸ NPBWR1 P48145 7/20 0.62
▸ GLP1R P43220 4/20 0.57
▸ IL23R Q5VWK5 3/20 0.56
▸ ECE1 P42892 1/20 0.55
▸ MUS81 Q96NY9 1/20 0.55
▸ PCSK9 Q8NBP7 1/20 0.54
▸ PTH1R Q03431 1/20 0.54

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
SCHEMBL31453816 0.96 RXFP1 (0.65) RXFP1NPBWR1GLP1RIL23RECE1
SCHEMBL30598132 0.93 RXFP1 (0.64) RXFP1NPBWR1GLP1RIL23RECE1
SCHEMBL30874386 0.93 RXFP1 (0.58) RXFP1NPBWR1GLP1RIL23RECE1
SCHEMBL30637763 0.93 RXFP1 (0.61) RXFP1NPBWR1GLP1RIL23RECE1
SCHEMBL30874393 0.92 RXFP1 (0.60) RXFP1NPBWR1GLP1RIL23RECE1
SCHEMBL30093113 0.92 PCSK9 (0.61) RXFP1NPBWR1GLP1RIL23RECE1
SCHEMBL30093105 0.92 PCSK9 (0.61) RXFP1NPBWR1GLP1RIL23RECE1
SCHEMBL30220493 0.92 RXFP1 (0.65) RXFP1NPBWR1GLP1RIL23RECE1
SCHEMBL30598170 0.92 NPBWR1 (0.61) RXFP1NPBWR1IL23R
SCHEMBL30242111 0.91 IL23R (0.59) RXFP1NPBWR1IL23RPCSK9PTH1R

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-2022111713-A9 POLYPEPTIDE CONTAINING DISULFIDE BONDS AND CAPABLE OF INHIBITING ACTIVITY OF SERINE PROTEASE, DERIVED HYBRID PEPTIDE THEREOF, AND USE THEREOF 中国医学科学院药物研究所 2023-07-27 — — WO disclosed
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