SCHEMBL31399622

SCHEMBL31399622

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NRP1 O14786 2/20 0.49
F2 P00734 1/20 0.48
OPRM1 P35372 6/20 0.46
OPRK1 P41145 6/20 0.46
KDM1A O60341 2/20 0.46
MAOB P27338 1/20 0.46
KDM5A P29375 1/20 0.46
KDM1B Q8NB78 1/20 0.46
C5AR1 P21730 1/20 0.44
NTSR2 O95665 1/20 0.44
NTSR1 P30989 1/20 0.44
NMUR2 Q9GZQ4 1/20 0.43
NMUR1 Q9HB89 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
SCHEMBL30855542 1.00 NRP1 (0.49) NRP1F2OPRM1OPRK1KDM1A
SCHEMBL29906667 0.96 NRP1 (0.52) NRP1F2OPRM1OPRK1C5AR1
SCHEMBL30345087 0.95 OPRM1 (0.53) OPRM1OPRK1KDM1AMAOBKDM5A
SCHEMBL31590961 0.95 OPRM1 (0.53) OPRM1OPRK1KDM1AMAOBKDM5A
SCHEMBL29872595 0.94 NRP1 (0.54) NRP1F2OPRM1OPRK1NTSR2
SCHEMBL29800433 0.94 NRP1 (0.48) NRP1F2NMUR2NMUR1
SCHEMBL29906662 0.94 F2 (0.48) NRP1F2OPRM1OPRK1KDM1A
SCHEMBL7949048 0.94 F2 (0.48) NRP1F2OPRM1OPRK1NTSR2
SCHEMBL29906654 0.93 NRP1 (0.50) NRP1F2OPRM1OPRK1C5AR1
SCHEMBL30689127 0.93 OPRM1 (0.50) NRP1F2OPRM1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119524105-A Peptide compounds for regulating functions of human lysyl-tRNA synthetase 中国科学院上海有机化学研究所 2025-02-28 CN claimed
CN-119524105-A Peptide compounds for regulating functions of human lysyl-tRNA synthetase 中国科学院上海有机化学研究所 2025-02-28 CN disclosed
CN-119524105-A Peptide compounds for regulating functions of human lysyl-tRNA synthetase 中国科学院上海有机化学研究所 2025-02-28 CN disclosed