SCHEMBL22223451

SCHEMBL22223451

CN(CCC(=O)O)C(=O)CCCCc1ccc2c(n1)NCCC2

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.68
ITGAV P06756 20/20 0.68
ITGB5 P18084 12/20 0.61
ITGB6 P18564 11/20 0.58
ITGB8 P26012 11/20 0.58
ITGA2B P08514 1/20 0.56

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
SCHEMBL30471830 0.87 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL15397316 0.87 ITGB3 (0.79) ITGB3ITGAVITGB5ITGB6ITGB8
Hydrochloric Acid SCHEMBL6425719 0.85 ITGB3 (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL21329747 0.85 ITGB3 (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6422552 0.85 ITGB3 (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
Hydrochloric Acid SCHEMBL6422102 0.85 ITGB3 (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
Hydrochloric Acid SCHEMBL20487381 0.85 ITGB3 (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
Hydrochloric Acid SCHEMBL6792186 0.84 ITGB3 (0.76) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL5252527 0.83 ITGB3 (0.73) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6262063 0.83 ITGB3 (0.74) ITGB3ITGAVITGB5ITGB6ITGB8

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-2020146521-A2 RNAI AGENTS FOR INHIBITING EXPRESSION OF HIF-2 ALPHA (EPAS1), COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2020-07-16 WO disclosed