SCHEMBL9450542

SCHEMBL9450542

CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)[C]=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.59
▸ CPA1 P15085 1/20 0.53
▸ CPA2 P48052 1/20 0.53
▸ CPA4 Q9UI42 1/20 0.53
▸ FURIN P09958 1/20 0.53
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ OPRK1 P41145 1/20 0.49
▸ KISS1R Q969F8 1/20 0.47
▸ MMP1 P03956 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ GHSR Q92847 1/20 0.46
▸ SSTR3 P32745 1/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ CALCRL Q16602 2/20 0.46
▸ MMP2 P08253 1/20 0.46

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
SCHEMBL9450576 0.90 GNPAT (0.47) GNPATCPA1CPA2CPA4FURIN
SCHEMBL3801766 0.86 GNPAT (0.78) GNPATCPA1CPA2CPA4FURIN
SCHEMBL29550453 0.86 GNPAT (0.78) GNPATCPA1CPA2CPA4FURIN
SCHEMBL3801759 0.86 GNPAT (0.78) GNPATCPA1CPA2CPA4FURIN
SCHEMBL8933580 0.86 GNPAT (0.78) GNPATCPA1CPA2CPA4FURIN
SCHEMBL29368954 0.86 GNPAT (0.78) GNPATCPA1CPA2CPA4FURIN
SCHEMBL31181171 0.85 GNPAT (0.69) GNPATCPA1CPA2CPA4FURIN
SCHEMBL9818098 0.85 GNPAT (0.44) GNPATCPA1CPA2CPA4FURIN
SCHEMBL12285408 0.84 CPA1 (0.59) GNPATCPA1CPA2CPA4FURIN
SCHEMBL15862955 0.83 GNPAT (0.67) GNPATCPA1CPA2CPA4FURIN

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
EP-0564588-A4 HEXA- AND HEPTAPEPTIDE ANAPHYLATOXIN-RECEPTOR LIGANDS — 1993-12-29 — — EP claimed
EP-0564588-A1 HEXA- AND HEPTAPEPTIDE ANAPHYLATOXIN-RECEPTOR LIGANDS. ABBOTT LAB (US) 1993-10-13 — — EP claimed
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