SCHEMBL29568833

SCHEMBL29568833

NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCN)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.48
▸ ITGAV P06756 1/20 0.48
▸ C5AR1 P21730 2/20 0.46
▸ APLNR P35414 4/20 0.46
▸ F2 P00734 5/20 0.44
▸ NTMT1 Q9BV86 1/20 0.40

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
SCHEMBL29569060 0.99 ITGB3 (0.48) ITGB3ITGAVC5AR1APLNRF2
SCHEMBL29568928 0.94 APLNR (0.44) ITGB3ITGAVC5AR1APLNRF2
SCHEMBL29569112 0.93 APLNR (0.43) ITGB3ITGAVC5AR1APLNRF2
SCHEMBL29568535 0.92 APLNR (0.49) ITGB3ITGAVC5AR1APLNRF2
SCHEMBL29568884 0.91 C5AR1 (0.54) ITGB3ITGAVC5AR1APLNR
SCHEMBL29569355 0.90 C5AR1 (0.55) ITGB3ITGAVC5AR1APLNR
SCHEMBL29736287 0.89 APLNR (0.56) ITGB3ITGAVC5AR1APLNR
SCHEMBL29568917 0.88 ITGB3 (0.48) ITGB3ITGAVC5AR1APLNRF2
SCHEMBL29568907 0.88 ITGB3 (0.46) ITGB3ITGAVC5AR1APLNRF2
SCHEMBL29569494 0.88 APLNR (0.47) ITGB3ITGAVC5AR1APLNRF2

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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