SCHEMBL29568606

SCHEMBL29568606

CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 5/20 0.53
▸ C5AR1 P21730 1/20 0.48
▸ CXCR4 P61073 1/20 0.45
▸ GHSR Q92847 1/20 0.45
▸ ITGB3 P05106 1/20 0.45
▸ ITGAV P06756 1/20 0.45

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
SCHEMBL29568564 0.97 APLNR (0.54) APLNRC5AR1
SCHEMBL29569072 0.97 APLNR (0.54) APLNRC5AR1
SCHEMBL29568535 0.94 APLNR (0.49) APLNRC5AR1ITGB3ITGAV
SCHEMBL29568777 0.94 APLNR (0.51) APLNRC5AR1CXCR4
SCHEMBL29568599 0.92 APLNR (0.50) APLNRC5AR1CXCR4
SCHEMBL29568430 0.92 APLNR (0.53) APLNRC5AR1
SCHEMBL29568928 0.92 APLNR (0.44) APLNRC5AR1ITGB3ITGAV
SCHEMBL29568786 0.91 APLNR (0.48) APLNRC5AR1CXCR4ITGB3ITGAV
SCHEMBL29569494 0.90 APLNR (0.47) APLNRC5AR1ITGB3ITGAV
SCHEMBL29569112 0.90 APLNR (0.43) APLNRC5AR1ITGB3ITGAV

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
EP-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 — — EP disclosed
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