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SCHEMBL29568401

SCHEMBL29568401

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.50
▸ APLNR P35414 3/20 0.49
▸ CXCR4 P61073 4/20 0.47
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ MC4R P32245 1/20 0.46
▸ CTSH P09668 1/20 0.46
▸ ITGB3 P05106 1/20 0.43
▸ ITGAV P06756 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
SCHEMBL29569083 1.00 C5AR1 (0.50) C5AR1APLNRCXCR4CTSLCTSS
SCHEMBL29568786 0.97 APLNR (0.48) C5AR1APLNRCXCR4CTSLCTSS
SCHEMBL29569452 0.94 C5AR1 (0.57) C5AR1APLNRCXCR4CTSLCTSS
SCHEMBL29568777 0.94 APLNR (0.51) C5AR1APLNRCXCR4CTSLCTSS
SCHEMBL29568907 0.92 ITGB3 (0.46) C5AR1APLNRCXCR4ITGB3ITGAV
SCHEMBL29568599 0.92 APLNR (0.50) C5AR1APLNRCXCR4CTSLCTSS
SCHEMBL29569072 0.91 APLNR (0.54) C5AR1APLNR
SCHEMBL29568564 0.91 APLNR (0.54) C5AR1APLNR
SCHEMBL29568430 0.90 APLNR (0.53) C5AR1APLNRCTSLCTSSCTSK
SCHEMBL29569355 0.90 C5AR1 (0.55) C5AR1APLNRMC4RITGB3ITGAV

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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