SCHEMBL30554076

SCHEMBL30554076

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.63
▸ C5AR1 P21730 2/20 0.62
▸ CRHR1 P34998 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ CALCR P30988 4/20 0.57
▸ AGTR1 P30556 1/20 0.56
▸ AGTR2 P50052 1/20 0.56
▸ HCRTR1 O43613 1/20 0.54
▸ HCRTR2 O43614 1/20 0.54
▸ NMUR2 Q9GZQ4 1/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ OPRK1 P41145 1/20 0.53

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
SCHEMBL29471347 0.91 AGTR2 (0.69) AGTR1AGTR2
SCHEMBL29393119 0.91 AGTR2 (0.69) AGTR1AGTR2
SCHEMBL29679847 0.86 F2 (0.63) F2C5AR1CRHR1CRHR2CALCR
SCHEMBL30176473 0.85 CALCR (0.64) F2C5AR1CRHR1CRHR2CALCR
SCHEMBL30712933 0.85 C5AR1 (0.62) C5AR1CALCR
Dirucotide SCHEMBL29405337 0.85 AGTR2 (0.63) F2C5AR1CRHR1CRHR2CALCR
SCHEMBL31664366 0.84 CALCR (0.66) F2C5AR1CRHR1CRHR2CALCR
SCHEMBL31295724 0.84 CALCR (0.66) F2CRHR1CRHR2CALCRHCRTR1
SCHEMBL31182512 0.84 CALCR (0.64) F2CRHR1CRHR2CALCRHCRTR1
SCHEMBL30526217 0.83 F2 (0.62) F2AGTR1AGTR2NMUR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119136797-A CB1Ligand conjugated compounds and uses thereof 阿达尔克斯制药有限公司 2024-12-13 — — CN claimed
CN-119136797-A CB1Ligand conjugated compounds and uses thereof 阿达尔克斯制药有限公司 2024-12-13 — — CN disclosed
CN-112961249-B Bifunctional peptide based on opioid peptide and cannabis peptide, and preparation method and application thereof 兰州大学 2023-08-04 — — CN disclosed
CN-112961249-B Bifunctional peptide based on opioid peptide and cannabis peptide, and preparation method and application thereof 兰州大学 2023-08-04 — — CN disclosed
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