SCHEMBL31439252

SCHEMBL31439252

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 9/20 0.73
▸ RXFP1 Q9HBX9 1/20 0.70
▸ GLP1R P43220 9/20 0.69
▸ CCKBR P32239 1/20 0.69
▸ KEAP1 Q14145 1/20 0.68

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
Teriparatide SCHEMBL30645329 0.96 PTH1R (0.80) PTH1RRXFP1GLP1RCCKBRKEAP1
SCHEMBL30448747 0.96 PTH1R (0.75) PTH1RRXFP1GLP1RCCKBRKEAP1
Teriparatide SCHEMBL30448707 0.96 PTH1R (0.80) PTH1RRXFP1GLP1RCCKBRKEAP1
SCHEMBL28980125 0.96 PTH1R (0.80) PTH1RRXFP1GLP1RCCKBRKEAP1
SCHEMBL30255063 0.96 PTH1R (0.80) PTH1RRXFP1GLP1RCCKBRKEAP1
Teriparatide SCHEMBL29394193 0.96 PTH1R (0.80) PTH1RRXFP1GLP1RCCKBRKEAP1
SCHEMBL30657454 0.95 GLP1R (0.75) PTH1RGLP1RCCKBR
SCHEMBL31099253 0.95 GLP1R (0.76) PTH1RGLP1RCCKBR
SCHEMBL31140017 0.94 GLP1R (0.77) GLP1RCCKBR
SCHEMBL29540315 0.94 GLP1R (0.76) PTH1RGLP1RCCKBR

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
US-20250082204-A1 IMAGING SYSTEMS AND METHODS FOR TISSUE DIFFERENTIATION, E.G., FOR INTRAOPERATIVE VISUALIZATION CORNELL UNIVERSITY 2025-03-13 — — US disclosed
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