SCHEMBL29408366

SCHEMBL29408366

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 6/20 0.41
▸ NTMT1 Q9BV86 2/20 0.40
▸ ACE P12821 1/20 0.39
▸ PLK1 P53350 1/20 0.38
▸ NMUR2 Q9GZQ4 1/20 0.37
▸ NMUR1 Q9HB89 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ OPRM1 P35372 6/20 0.37
▸ OPRK1 P41145 6/20 0.37

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
SCHEMBL30918798 0.96 APLNR (0.39) APLNRNTMT1ACEPLK1NMUR2
SCHEMBL30563220 0.93 NTMT1 (0.41) APLNRNTMT1PLK1NMUR2NMUR1
SCHEMBL30454418 0.92 NAA50 (0.45) APLNRACEPLK1NMUR2NMUR1
SCHEMBL30099574 0.90 NMUR2 (0.49) APLNRPLK1NMUR2NMUR1OPRM1
SCHEMBL10340262 0.90 ACE (0.42) APLNRNTMT1ACEOPRM1OPRK1
SCHEMBL4190053 0.90 ACE (0.42) APLNRNTMT1ACEOPRM1OPRK1
SCHEMBL27445701 0.90 ACE (0.42) APLNRNTMT1ACEOPRM1OPRK1
SCHEMBL7444428 0.90 ACE (0.42) APLNRNTMT1ACEOPRM1OPRK1
SCHEMBL4190057 0.90 ACE (0.42) APLNRNTMT1ACEOPRM1OPRK1
SCHEMBL29568888 0.88 APLNR (0.42) APLNRACENMUR2NMUR1OPRM1

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
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 claimed
CN-111647043-B Oligopeptide with platelet resisting and antithrombotic functions containing Hyp-Gly sequence 中国农业大学 2022-03-22 — — CN disclosed
Send feedback