SCHEMBL31031580

SCHEMBL31031580

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 4/20 0.47
▸ EPHA2 P29317 3/20 0.46
▸ RAMP3 O60896 3/20 0.45
▸ CALCR P30988 3/20 0.45
▸ CALCRL Q16602 1/20 0.44
▸ APLNR P35414 1/20 0.44
▸ TFPI P10646 3/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ NPY4R P50391 1/20 0.43
▸ NPY5R Q15761 1/20 0.43
▸ CALCA P06881 1/20 0.43

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
SCHEMBL31031494 0.93 CXCR4 (0.49) CXCR4EPHA2CALCRLAPLNRTFPI
SCHEMBL29579268 0.89 CXCR4 (0.48) CXCR4RAMP3CALCRAPLNR
SCHEMBL29743135 0.86 EPHA2 (0.46) CXCR4EPHA2RAMP3CALCRNPY1R
SCHEMBL31031577 0.85 KDM1A (0.45) CXCR4EPHA2APLNRTFPI
SCHEMBL31462089 0.84 CXCR4 (0.46) CXCR4APLNRTFPINPY1RNPY2R
SCHEMBL29743132 0.84 EPHA2 (0.50) EPHA2RAMP3CALCRCALCRLNPY1R
SCHEMBL9551335 0.83 EPHA2 (0.46) CXCR4EPHA2CALCRL
SCHEMBL30868651 0.82 KEAP1 (0.44) CXCR4EPHA2RAMP3CALCR
SCHEMBL28356821 0.82 CXCR4 (0.47) CXCR4APLNR
SCHEMBL30275450 0.82 CXCR4 (0.46) CXCR4APLNR

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-2024132725-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO disclosed
Send feedback