SCHEMBL30819872

SCHEMBL30819872

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.49
▸ GLP1R P43220 4/20 0.47
▸ ECE1 P42892 1/20 0.47
▸ MUS81 Q96NY9 1/20 0.47
▸ TFPI P10646 1/20 0.47
▸ VIPR1 P32241 1/20 0.45
▸ PTH1R Q03431 3/20 0.45

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
SCHEMBL29965869 0.92 RXFP1 (0.53) RXFP1GLP1RECE1MUS81TFPI
SCHEMBL29678410 0.90 NPY4R (0.47) RXFP1
SCHEMBL4092981 0.88 NPY4R (0.48) RXFP1
SCHEMBL4092974 0.88 NPY4R (0.48) RXFP1
SCHEMBL30121216 0.87 NPY4R (0.48) RXFP1
SCHEMBL31757515 0.87 RXFP1 (0.50) RXFP1GLP1RECE1MUS81TFPI
SCHEMBL29903346 0.86 RXFP1 (0.49) RXFP1GLP1RECE1MUS81TFPI
SCHEMBL30595713 0.86 TFPI (0.48) TFPI
SCHEMBL30512534 0.85 RXFP1 (0.51) RXFP1GLP1RECE1MUS81TFPI
SCHEMBL31462063 0.85 BACE1 (0.44) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380892-B Goat horn characteristic peptide fragment and detection method thereof 南京中医药大学 2024-03-12 — — CN claimed
CN-114380892-B Goat horn characteristic peptide fragment and detection method thereof 南京中医药大学 2024-03-12 — — CN disclosed
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