SCHEMBL30584476

SCHEMBL30584476

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.54
▸ RAMP1 O60894 1/20 0.54
▸ REN P00797 2/20 0.53
▸ AGTR2 P50052 4/20 0.53
▸ AGTR1 P30556 2/20 0.53
▸ SLC6A2 P23975 1/20 0.52
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ NTSR2 O95665 4/20 0.49
▸ NTSR1 P30989 4/20 0.49
▸ SORT1 Q99523 2/20 0.49
▸ CALCR P30988 1/20 0.48

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
SCHEMBL30584470 0.88 EPHA2 (0.56) OPRM1OPRD1CALCR
SCHEMBL30584461 0.87 CALCRL (0.51) CALCRLRAMP1RENAGTR2AGTR1
SCHEMBL29994173 0.84 CALCRL (0.59) CALCRLRAMP1RENAGTR2AGTR1
SCHEMBL31020743 0.84 NTSR1 (0.52) AGTR2AGTR1SLC6A2NTSR2NTSR1
SCHEMBL30584443 0.84 SLC6A2 (0.55) RENAGTR2AGTR1SLC6A2NTSR2
SCHEMBL6887928 0.82 OPRD1 (0.55) OPRM1OPRD1NTSR1
SCHEMBL6887945 0.82 OPRD1 (0.55) OPRM1OPRD1NTSR1
SCHEMBL11157501 0.82 SLC6A2 (0.58) RENSLC6A2OPRM1OPRD1NTSR2
SCHEMBL11157497 0.82 SLC6A2 (0.58) RENSLC6A2OPRM1OPRD1NTSR2
SCHEMBL6515614 0.82 SLC6A2 (0.69) CALCRLRENSLC6A2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212662-A2 COMPOSITIONS AND METHODS FOR MODULATING ANTIGEN BINDING ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-11-02 — — WO disclosed
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