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SCHEMBL9295042

SCHEMBL9295042

C[C@@H](O)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 13/20 0.52
▸ CALCR P30988 13/20 0.52
▸ C5AR1 P21730 1/20 0.50
▸ APLNR P35414 1/20 0.50
▸ CXCR4 P61073 1/20 0.49
▸ CTSL P07711 2/20 0.49
▸ CTSS P25774 2/20 0.49
▸ CTSK P43235 2/20 0.49
▸ CTSH P09668 1/20 0.49

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
SCHEMBL9295015 1.00 RAMP3 (0.52) RAMP3CALCRC5AR1APLNRCXCR4
SCHEMBL30441868 0.88 F2 (0.52) CALCRC5AR1APLNRCXCR4CTSL
SCHEMBL29808351 0.87 F2 (0.54) CALCRC5AR1APLNRCXCR4CTSL
SCHEMBL30512556 0.87 APLNR (0.62) RAMP3CALCRAPLNRCXCR4
SCHEMBL30442638 0.87 F2 (0.51) CALCRC5AR1APLNRCTSLCTSS
SCHEMBL30862104 0.87 CTSL (0.52) C5AR1APLNRCTSLCTSSCTSK
SCHEMBL29808558 0.87 F2 (0.54) CALCRC5AR1APLNRCXCR4CTSL
SCHEMBL29697039 0.86 EPHA2 (0.58) RAMP3CALCRC5AR1APLNRCXCR4
SCHEMBL30198795 0.86 CTSL (0.48) RAMP3CALCRC5AR1APLNRCTSL
SCHEMBL30512494 0.86 MAPK8 (0.54) RAMP3CALCRAPLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567578-A4 — — 1994-04-27 — — EP claimed
EP-0567578-A1 LAMININ A CHAIN DOMAIN VI POLYPEPTIDES THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1993-11-03 — — EP claimed
WO-1992012727-A1 LAMININ A CHAIN DOMAIN VI POLYPEPTIDES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1992-08-06 — — WO claimed
EP-0567578-A4 — — 1994-04-27 — — EP disclosed
EP-0567578-A1 LAMININ A CHAIN DOMAIN VI POLYPEPTIDES THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1993-11-03 — — EP disclosed
WO-1992012727-A1 LAMININ A CHAIN DOMAIN VI POLYPEPTIDES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1992-08-06 — — WO disclosed
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