SCHEMBL31452900

SCHEMBL31452900

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.54
▸ CALCR P30988 4/20 0.53
▸ APLNR P35414 1/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ SLC6A2 P23975 1/20 0.50
▸ HCRTR1 O43613 1/20 0.49
▸ HCRTR2 O43614 1/20 0.49
▸ F2 P00734 4/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ RAMP1 O60894 1/20 0.48

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
SCHEMBL30903285 0.86 CALCR (0.60) CALCRHCRTR1HCRTR2F2
SCHEMBL30974474 0.86 CALCRL (0.59) CALCRLCALCRSLC6A2F2RAMP1
SCHEMBL30209621 0.86 F2 (0.60) CALCRSLC6A2F2
SCHEMBL30432400 0.85 CALCR (0.70) CALCRHCRTR1HCRTR2F2
SCHEMBL31452912 0.84 GLP1R (0.64) CALCRKEAP1
SCHEMBL30567762 0.84 APLNR (0.55) CALCRAPLNRMAPK8MAPK9MAPK10
SCHEMBL5346255 0.84 F2 (0.51) CALCRAPLNRHCRTR1HCRTR2F2
SCHEMBL5346245 0.84 F2 (0.51) CALCRAPLNRHCRTR1HCRTR2F2
SCHEMBL30607380 0.84 CALCR (0.63) CALCRHCRTR1HCRTR2F2KEAP1
SCHEMBL29384601 0.83 SLC6A2 (0.52) CALCRLCALCRAPLNRSLC6A2F2

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-119751581-A Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug 上海交通大学 2025-04-04 — — CN claimed
CN-119751581-A Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug 上海交通大学 2025-04-04 — — CN disclosed
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