SCHEMBL30129752

SCHEMBL30129752

CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 6/20 0.48
▸ ITGB3 P05106 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ CTSL P07711 2/20 0.45
▸ CTSS P25774 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ CTSH P09668 1/20 0.45
▸ CXCR4 P61073 1/20 0.44
▸ RAMP3 O60896 3/20 0.44
▸ OPRM1 P35372 2/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ OPRK1 P41145 2/20 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
SCHEMBL30431793 0.89 NPY2R (0.52) CALCRCXCR4RAMP3
SCHEMBL30567770 0.88 CALCR (0.60) CALCROPRM1OPRD1OPRK1
SCHEMBL30567717 0.87 CXCR4 (0.49) CTSLCTSSCTSKCXCR4
SCHEMBL30432485 0.87 APLNR (0.49) CXCR4OPRM1OPRD1
SCHEMBL30844386 0.87 F2 (0.45) CALCRRAMP3OPRM1OPRD1OPRK1
SCHEMBL30658587 0.85 F2 (0.46) OPRM1OPRK1
SCHEMBL30844365 0.85 F2 (0.47) CALCRRAMP3OPRM1OPRD1OPRK1
SCHEMBL29904128 0.85 APLNR (0.51) CALCRRAMP3OPRM1OPRD1OPRK1
SCHEMBL29421924 0.84 APLNR (0.49) CXCR4OPRM1OPRD1OPRK1
SCHEMBL31676648 0.84 F2 (0.48) OPRM1

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-108815504-B Application of haliotis discus hannai polypeptide HDP-1 in preparation of drug for treating fibrosarcoma 广东海洋大学深圳研究院 2023-02-10 — — CN claimed
CN-108815504-B Application of haliotis discus hannai polypeptide HDP-1 in preparation of drug for treating fibrosarcoma 广东海洋大学深圳研究院 2023-02-10 — — CN disclosed
Send feedback