SCHEMBL21291259

SCHEMBL21291259

CCCOCCN1Cc2cc(OCCCNc3ccccn3)ccc2C[C@@H](CC(=O)O)C1=O

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.77
ITGAV P06756 19/20 0.77
ITGA2B P08514 8/20 0.77
ITGB5 P18084 5/20 0.64
ITGB1 P05556 4/20 0.64
ITGB6 P18564 2/20 0.42

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
SCHEMBL23083106 0.92 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL24759380 0.92 ITGB3 (0.74) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL23083026 0.92 ITGB3 (0.74) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL23082960 0.91 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL12010935 0.91 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL23083174 0.89 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL330242 0.89 ITGB3 (0.74) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL23083065 0.89 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6418086 0.88 ITGB3 (0.78) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6418095 0.88 ITGB3 (0.78) ITGB3ITGAVITGA2BITGB5ITGB1

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
WO-2019161213-A1 TRIALKYNE LINKING AGENTS AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2019-08-22 WO disclosed