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SCHEMBL29608843

SCHEMBL29608843

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.58
▸ APLNR P35414 4/20 0.52
▸ CXCR4 P61073 1/20 0.50
▸ OPRM1 P35372 6/20 0.48
▸ OPRK1 P41145 6/20 0.48
▸ MC4R P32245 1/20 0.47

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
SCHEMBL29608840 1.00 C5AR1 (0.58) C5AR1APLNRCXCR4OPRM1OPRK1
SCHEMBL29607540 0.97 C5AR1 (0.56) C5AR1APLNRCXCR4OPRM1OPRK1
SCHEMBL29607931 0.96 C5AR1 (0.55) C5AR1APLNRCXCR4OPRM1OPRK1
SCHEMBL29608128 0.94 CXCR4 (0.57) C5AR1APLNRCXCR4OPRM1OPRK1
SCHEMBL29607221 0.94 C5AR1 (0.53) C5AR1APLNRCXCR4OPRM1OPRK1
SCHEMBL29608118 0.92 C5AR1 (0.59) C5AR1APLNRCXCR4OPRM1OPRK1
SCHEMBL29608007 0.92 C5AR1 (0.59) C5AR1APLNRCXCR4OPRM1OPRK1
SCHEMBL29606988 0.91 C5AR1 (0.51) C5AR1APLNRCXCR4OPRM1OPRK1
SCHEMBL29608041 0.91 C5AR1 (0.58) C5AR1APLNRCXCR4OPRM1OPRK1
SCHEMBL29607774 0.90 APLNR (0.54) C5AR1APLNRCXCR4OPRM1OPRK1

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
US-20220120732-A1 TREATMENT OF DISEASES WITH MULTIMERIC PEPTIDES RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2022-04-21 — — US disclosed
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