SCHEMBL29629130

SCHEMBL29629130

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.62
▸ C5AR1 P21730 2/20 0.55
▸ CALCR P30988 4/20 0.55
▸ CRHR1 P34998 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ F2 P00734 4/20 0.52
▸ OPRD1 P41143 3/20 0.52
▸ NMBR P28336 1/20 0.52
▸ GRPR P30550 1/20 0.52

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
SCHEMBL29629120 1.00 MC4R (0.62) MC4RC5AR1CALCRCRHR1CRHR2
SCHEMBL31474321 0.86 MC4R (0.58) MC4RC5AR1F2OPRD1
SCHEMBL31670617 0.86 CALCR (0.55) MC4RC5AR1CALCRCRHR1CRHR2
SCHEMBL30431281 0.85 F2 (0.59) MC4RC5AR1CALCRCRHR1CRHR2
SCHEMBL31474361 0.84 MC4R (0.62) MC4RC5AR1CALCRF2OPRD1
SCHEMBL29656078 0.83 C5AR1 (0.59) MC4RC5AR1CALCRCRHR1CRHR2
SCHEMBL31603939 0.83 CALCR (0.70) CALCRCRHR1CRHR2F2
SCHEMBL30432686 0.83 C5AR1 (0.66) MC4RC5AR1CALCRNMBRGRPR
SCHEMBL30432185 0.83 CALCR (0.65) C5AR1CALCRCRHR1CRHR2OPRD1
SCHEMBL29569971 0.82 OPRD1 (0.63) CALCRF2OPRD1

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
CN-110194787-B Polypeptide for targeted inhibition of Wnt/beta-catenin signal activity and application thereof 中国医学科学院药物研究所 2022-05-17 — — CN disclosed
Send feedback