SCHEMBL31072934

SCHEMBL31072934

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.60
▸ APLNR P35414 2/20 0.59
▸ EPHA2 P29317 2/20 0.53
▸ SLC6A2 P23975 1/20 0.51
▸ CALCRL Q16602 3/20 0.50
▸ AGTR1 P30556 1/20 0.50
▸ AGTR2 P50052 1/20 0.50
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ REN P00797 2/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ RAMP3 O60896 1/20 0.48
▸ CALCR P30988 1/20 0.48
▸ F2 P00734 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
SCHEMBL31574325 0.94 C5AR1 (0.68) C5AR1APLNREPHA2CALCR
SCHEMBL29973760 0.91 AGTR2 (0.63) C5AR1APLNREPHA2AGTR1AGTR2
SCHEMBL29976469 0.90 C5AR1 (0.65) C5AR1APLNREPHA2SLC6A2AGTR1
SCHEMBL29619803 0.90 C5AR1 (0.65) C5AR1APLNREPHA2SLC6A2AGTR1
SCHEMBL30785945 0.90 SLC6A2 (0.61) C5AR1SLC6A2CALCRLAGTR1AGTR2
SCHEMBL29976843 0.89 C5AR1 (0.58) C5AR1APLNRAGTR1AGTR2REN
SCHEMBL29551271 0.89 C5AR1 (0.62) C5AR1APLNREPHA2SLC6A2AGTR1
[Val5] - Angiotensin Ii SCHEMBL29551599 0.89 AGTR2 (0.64) C5AR1APLNREPHA2SLC6A2AGTR1
Angiotensin Amide SCHEMBL29619836 0.89 C5AR1 (0.62) C5AR1APLNREPHA2SLC6A2AGTR1
SCHEMBL29697039 0.88 EPHA2 (0.58) C5AR1APLNREPHA2CALCRLMAPK8

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-118772238-A Immunomodulatory nonapeptides and uses thereof 成都大学 2024-10-15 — — CN disclosed
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