SCHEMBL29568928

SCHEMBL29568928

NCCCC[C@H](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 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 4/20 0.44
▸ F2 P00734 5/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGAV P06756 1/20 0.44
▸ C5AR1 P21730 2/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ CALCR P30988 2/20 0.40
▸ 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
SCHEMBL29569112 0.98 APLNR (0.43) APLNRF2ITGB3ITGAVC5AR1
SCHEMBL29568535 0.95 APLNR (0.49) APLNRF2ITGB3ITGAVC5AR1
SCHEMBL29569060 0.94 ITGB3 (0.48) APLNRF2ITGB3ITGAVC5AR1
SCHEMBL29568833 0.94 ITGB3 (0.48) APLNRF2ITGB3ITGAVC5AR1
SCHEMBL29568907 0.93 ITGB3 (0.46) APLNRF2ITGB3ITGAVC5AR1
SCHEMBL29568606 0.92 APLNR (0.53) APLNRITGB3ITGAVC5AR1
SCHEMBL29568777 0.91 APLNR (0.51) APLNRC5AR1
SCHEMBL29569494 0.91 APLNR (0.47) APLNRF2ITGB3ITGAVC5AR1
SCHEMBL29569960 0.91 CALCRL (0.38) APLNRF2ITGB3ITGAVOPRM1
SCHEMBL29569026 0.90 APLNR (0.46) APLNRF2ITGB3ITGAVCALCR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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