SCHEMBL28346871

SCHEMBL28346871

CC(O)C(N)C(=O)N1CCC[C@H]1C(=O)O.N=C(N)NCCCC(NC(=O)CN)C(=O)NCC(=O)NC(CS)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 7/20 0.40
▸ CALCR P30988 7/20 0.40
▸ CXCR4 P61073 1/20 0.40
▸ NMUR2 Q9GZQ4 4/20 0.40
▸ NMUR1 Q9HB89 4/20 0.40
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ IL23R Q5VWK5 1/20 0.38
▸ ACE P12821 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ REN P00797 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PEPD P12955 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ HTR2A P28223 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
SCHEMBL28312065 0.91 RAMP3 (0.41) RAMP3CALCRCXCR4NMUR2NMUR1
SCHEMBL30868648 0.89 IL23R (0.43) RAMP3CALCRCXCR4NMUR2NMUR1
SCHEMBL31485760 0.85 RAMP3 (0.41) RAMP3CALCRCXCR4NMUR2NMUR1
SCHEMBL30868635 0.83 KEAP1 (0.45) RAMP3CALCRCXCR4
SCHEMBL14028315 0.83 RAMP3 (0.46) RAMP3CALCRACEREN
SCHEMBL29905998 0.83 KEAP1 (0.45) RAMP3CALCRCXCR4
SCHEMBL30868640 0.83 NMUR2 (0.44) RAMP3CALCRCXCR4NMUR2NMUR1
SCHEMBL29143155 0.83 NMUR2 (0.45) CXCR4NMUR2NMUR1MAPK8MAPK9
SCHEMBL29143157 0.83 NMUR2 (0.45) CXCR4NMUR2NMUR1MAPK8MAPK9
SCHEMBL30688240 0.83 NMUR2 (0.41) CXCR4NMUR2NMUR1ACEREN

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-110678193-A Therapeutic and neuroprotective peptides 急速制药公司 2020-01-10 — — CN claimed
CN-110678193-A Therapeutic and neuroprotective peptides 急速制药公司 2020-01-10 — — CN disclosed
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