SCHEMBL29614462

SCHEMBL29614462

CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.46
▸ IL23R Q5VWK5 13/20 0.45
▸ APLNR P35414 1/20 0.45
▸ MC4R P32245 1/20 0.44
▸ C5AR1 P21730 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSH P09668 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43

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
SCHEMBL29614488 0.96 CTSL (0.46) TFPIIL23RAPLNRMC4RC5AR1
SCHEMBL29614491 0.96 CTSL (0.46) TFPIIL23RAPLNRMC4RC5AR1
SCHEMBL29614438 0.93 MC4R (0.46) APLNRMC4RC5AR1
SCHEMBL31437155 0.92 SLC15A2 (0.44) APLNRMC4RC5AR1CTSLCTSH
SCHEMBL29562123 0.91 SLC15A2 (0.43) APLNRC5AR1
SCHEMBL31315020 0.91 SLC15A2 (0.43) APLNRC5AR1
SCHEMBL29614382 0.90 SLC15A2 (0.50) APLNRMC4RC5AR1
SCHEMBL29614399 0.90 SLC15A2 (0.50) APLNRMC4RC5AR1
SCHEMBL26446682 0.89 SLC15A2 (0.48) C5AR1
SCHEMBL31474897 0.88 APLNR (0.50) APLNRC5AR1

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-109134659-B Nucleic acid vector and application thereof 中国人民解放军军事医学科学院毒物药物研究所 2022-04-26 — — CN disclosed
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