SCHEMBL31672213

SCHEMBL31672213

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.70
▸ CRHR1 P34998 1/20 0.65
▸ CRHR2 Q13324 1/20 0.65
▸ F2 P00734 4/20 0.60
▸ TFPI P10646 3/20 0.58
▸ GLP1R P43220 4/20 0.58
▸ GCGR P47871 3/20 0.58
▸ NPY1R P25929 1/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ NPY5R Q15761 1/20 0.58
▸ APLNR P35414 1/20 0.57

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
SCHEMBL31182659 0.91 CALCR (0.74) CALCRCRHR1CRHR2F2GLP1R
SCHEMBL30432408 0.91 CALCR (0.71) CALCRCRHR1CRHR2F2GLP1R
SCHEMBL30431687 0.91 F2 (0.64) CALCRCRHR1CRHR2F2TFPI
SCHEMBL31295723 0.90 CALCR (0.66) CALCRCRHR1CRHR2F2GLP1R
SCHEMBL30176473 0.89 CALCR (0.64) CALCRCRHR1CRHR2F2NPY1R
SCHEMBL30495663 0.88 F2 (0.71) CALCRCRHR1CRHR2F2TFPI
SCHEMBL29679847 0.88 F2 (0.63) CALCRCRHR1CRHR2F2NPY1R
SCHEMBL31182551 0.88 CALCR (0.68) CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL29048575 0.88 CALCR (0.68) CALCRCRHR1CRHR2F2GLP1R
SCHEMBL29794830 0.88 CALCR (0.76) CALCRCRHR1CRHR2F2GLP1R

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-12385917-B2 Methods and compositions for tracking vegetation COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2025-08-12 — — US disclosed
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