SCHEMBL21848870

SCHEMBL21848870

N=C(N)NCCC[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)CNC(=O)[C@@H](C(=O)O)NC(=O)CNC1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.49
ITGA2B P08514 11/20 0.49
NNMT P40261 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
ITGAV P06756 4/20 0.41
CACNA1B Q00975 1/20 0.40
ITGB5 P18084 3/20 0.39
ITGB1 P05556 2/20 0.39
ITGA5 P08648 2/20 0.39
GNAI1 P63096 1/20 0.39

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
SCHEMBL29569256 0.90 ITGB3 (0.44) ITGB3ITGA2BNNMTSIRT2SIRT1
SCHEMBL29569103 0.90 ITGB3 (0.44) ITGB3ITGA2BNNMTSIRT2SIRT1
SCHEMBL22152104 0.89 ITGB3 (0.47) ITGB3ITGA2BITGAVCACNA1BITGB5
SCHEMBL8321039 0.89 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL21467217 0.88 CACNA1B (0.49) ITGB3ITGA2BNNMTITGAVCACNA1B
SCHEMBL29569086 0.84 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL27414456 0.84 ITGB3 (0.48) ITGB3ITGA2BNNMTCACNA1BGNAI1
SCHEMBL23999304 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAVCACNA1BITGB5
SCHEMBL20982086 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAVCACNA1BITGB5
SCHEMBL29726666 0.83 ITGB3 (0.54) ITGB3ITGA2BITGAVITGB5

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-3632413-A1 LONG-CIRCULATING LIPOSOME MODIFIED WITH C(RGD-ACP-K) Beijing Greatsun Bio-pharm. Tech. Co., Ltd (CN) 2020-04-08 EP disclosed