SCHEMBL30964513

SCHEMBL30964513

CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 13/20 0.64
▸ CALCR P30988 13/20 0.64
▸ MAPK8 P45983 1/20 0.63
▸ MAPK9 P45984 1/20 0.63
▸ MAPK10 P53779 1/20 0.63
▸ NMUR2 Q9GZQ4 3/20 0.59
▸ NMUR1 Q9HB89 3/20 0.59
▸ KEAP1 Q14145 1/20 0.58
▸ APLNR P35414 1/20 0.58

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
SCHEMBL30887974 0.93 KEAP1 (0.64) RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL30887975 0.92 KEAP1 (0.65) RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL30423109 0.92 APLNR (0.60) RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL30607401 0.90 NMUR2 (0.65) RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL30712950 0.89 MAPK8 (0.67) RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL31182879 0.89 RAMP3 (0.61) RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL31182992 0.88 NPY2R (0.66) RAMP3CALCR
SCHEMBL30974066 0.88 NMUR2 (0.60) RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL29827447 0.88 KEAP1 (0.62) RAMP3CALCRKEAP1
SCHEMBL32670346 0.88 RAMP3 (0.64) RAMP3CALCRNMUR2NMUR1

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-2024085841-A1 A HUMANIN-LOADED SOLID LIPID NANOPARTICLE FOR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES AND A METHOD FOR PRODUCING THE HUMANIN-LOADED SOLID LIPID NANOPARTICLE T.C ANKARA UNIVERSITESI REKTORLUGU BILIMSEL ARASTIRMA PROJELERI KOORDINASYON BIRIMI (TR) 2024-04-25 — — WO disclosed
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