SCHEMBL9450576

SCHEMBL9450576

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.47
▸ MMP2 P08253 1/20 0.46
▸ MMP1 P03956 2/20 0.46
▸ MMP3 P08254 2/20 0.46
▸ FURIN P09958 1/20 0.46
▸ OPRK1 P41145 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ CPA1 P15085 1/20 0.45
▸ CPA2 P48052 1/20 0.45
▸ CPA4 Q9UI42 1/20 0.45
▸ GHSR Q92847 1/20 0.45
▸ SSTR3 P32745 1/20 0.45
▸ ANPEP P15144 1/20 0.44
▸ CALCRL Q16602 2/20 0.44
▸ F2 P00734 1/20 0.44

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
SCHEMBL9450542 0.90 GNPAT (0.59) GNPATMMP2MMP1MMP3FURIN
SCHEMBL9450587 0.89 MMP1 (0.48) GNPATMMP2MMP1MMP3SSTR3
SCHEMBL9450533 0.88 MMP2 (0.50) GNPATMMP2MMP1MMP3MMP9
SCHEMBL14821599 0.87 MMP1 (0.57) GNPATMMP2MMP1MMP3MMP9
SCHEMBL9450515 0.86 MMP1 (0.50) GNPATMMP2MMP1MMP3MMP9
SCHEMBL30917923 0.86 GNPAT (0.61) GNPATMMP2
SCHEMBL9818098 0.86 GNPAT (0.44) GNPATMMP2MMP1MMP3FURIN
SCHEMBL9450513 0.85 MMP2 (0.46) GNPATMMP2MMP1MMP3ANPEP
SCHEMBL23105976 0.85 GNPAT (0.49) GNPATMMP2MMP1MMP3OPRK1
SCHEMBL22845647 0.85 GHSR (0.55) GNPATFURINGHSR

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 3 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
EP-0456758-A1 ANAPHYLATOXIN-RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 1991-11-21 — — EP disclosed
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