SCHEMBL31165891

SCHEMBL31165891

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NRP1 O14786 2/20 0.41
▸ APLNR P35414 1/20 0.41
▸ CXCR4 P61073 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ NMUR2 Q9GZQ4 1/20 0.39
▸ NMUR1 Q9HB89 1/20 0.39
▸ OPRM1 P35372 3/20 0.39
▸ OPRK1 P41145 3/20 0.39
▸ EPHA2 P29317 1/20 0.38

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
SCHEMBL30385468 0.91 NRP1 (0.43) NRP1APLNRPLK1NMUR2NMUR1
SCHEMBL29416313 0.90 OPRM1 (0.41) NRP1OPRM1OPRK1EPHA2
SCHEMBL29727257 0.90 ACE (0.41) —
SCHEMBL31362692 0.90 ACE (0.49) OPRM1OPRK1
SCHEMBL29568888 0.89 APLNR (0.42) APLNRNMUR2NMUR1OPRM1OPRK1
SCHEMBL31437192 0.89 APLNR (0.43) APLNRCXCR4OPRM1OPRK1
SCHEMBL29630805 0.89 BDKRB2 (0.41) NRP1CXCR4NMUR2NMUR1OPRM1
SCHEMBL30379247 0.88 PLK1 (0.41) APLNRPLK1
SCHEMBL31303209 0.88 CXCR4 (0.43) APLNRCXCR4NMUR2NMUR1OPRM1
SCHEMBL5507610 0.88 NRP1 (0.48) NRP1CXCR4OPRM1OPRK1

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-2024200264-A1 PEPTIDES AND USES THEREOF SYNTHERIX LIMITED (GB) 2024-10-03 — — WO disclosed
Send feedback