SCHEMBL31399668

SCHEMBL31399668

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 15/20 0.52
▸ CALCR P30988 15/20 0.52
▸ KDM1A O60341 3/20 0.49
▸ MAOB P27338 1/20 0.46
▸ KDM5A P29375 1/20 0.46
▸ KDM1B Q8NB78 1/20 0.46
▸ OPRM1 P35372 2/20 0.46
▸ OPRK1 P41145 2/20 0.46

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
SCHEMBL30171123 0.89 RAMP3 (0.51) RAMP3CALCRKDM1A
SCHEMBL30974406 0.87 RAMP3 (0.55) RAMP3CALCRKDM1A
SCHEMBL31070376 0.87 CAPN1 (0.50) OPRM1OPRK1
SCHEMBL31344445 0.86 KEAP1 (0.51) RAMP3CALCR
SCHEMBL30974082 0.85 RAMP3 (0.55) RAMP3CALCR
SCHEMBL31419809 0.85 NMUR2 (0.44) RAMP3CALCRKDM1AMAOBKDM5A
SCHEMBL31307270 0.85 RAMP3 (0.54) RAMP3CALCROPRM1OPRK1
SCHEMBL30991505 0.85 KDM1A (0.50) RAMP3CALCRKDM1AMAOBKDM5A
SCHEMBL31419820 0.85 NTSR2 (0.44) KDM1AMAOBKDM5AKDM1B
SCHEMBL5312908 0.85 KDM1A (0.51) RAMP3CALCRKDM1AMAOBKDM5A

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
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
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