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SCHEMBL29568902

SCHEMBL29568902

CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN)C(=O)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 3/20 0.53
▸ CTSL P07711 3/20 0.46
▸ CTSS P25774 3/20 0.46
▸ CTSK P43235 3/20 0.46
▸ CTSH P09668 1/20 0.46
▸ C5AR1 P21730 1/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ MC4R P32245 1/20 0.46

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
SCHEMBL29568693 1.00 APLNR (0.53) APLNRCTSLCTSSCTSKCTSH
SCHEMBL29568618 1.00 APLNR (0.53) APLNRCTSLCTSSCTSKCTSH
SCHEMBL29568520 0.99 APLNR (0.54) APLNRCTSLCTSSCTSKCTSH
SCHEMBL29569678 0.99 APLNR (0.54) APLNRCTSLCTSSCTSKCTSH
SCHEMBL29569366 0.97 APLNR (0.54) APLNRCTSLCTSSCTSKCTSH
SCHEMBL29568786 0.90 APLNR (0.48) APLNRCTSLCTSSCTSKCTSH
SCHEMBL29568606 0.89 APLNR (0.53) APLNRC5AR1ITGB3ITGAV
SCHEMBL29569083 0.86 C5AR1 (0.50) APLNRCTSLCTSSCTSKCTSH
SCHEMBL29568401 0.86 C5AR1 (0.50) APLNRCTSLCTSSCTSKCTSH
SCHEMBL29569072 0.86 APLNR (0.54) 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
EP-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 — — EP disclosed
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