SCHEMBL29568884

SCHEMBL29568884

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.54
▸ APLNR P35414 3/20 0.53
▸ PLK1 P53350 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
SCHEMBL29569355 0.99 C5AR1 (0.55) C5AR1APLNRPLK1ITGB3ITGAV
SCHEMBL29568777 0.94 APLNR (0.51) C5AR1APLNRMC4R
SCHEMBL29568599 0.94 APLNR (0.50) C5AR1APLNRMC4R
SCHEMBL29736287 0.91 APLNR (0.56) C5AR1APLNRITGB3ITGAVMC4R
SCHEMBL29568564 0.91 APLNR (0.54) C5AR1APLNR
SCHEMBL29569072 0.91 APLNR (0.54) C5AR1APLNR
SCHEMBL29568833 0.91 ITGB3 (0.48) C5AR1APLNRITGB3ITGAV
SCHEMBL29569060 0.90 ITGB3 (0.48) C5AR1APLNRITGB3ITGAV
SCHEMBL29607931 0.90 C5AR1 (0.55) C5AR1APLNRMC4R
SCHEMBL29568401 0.89 C5AR1 (0.50) C5AR1APLNRITGB3ITGAVMC4R

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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