SCHEMBL21705965

SCHEMBL21705965

C[C@H](CCNC(=O)CCCCc1ccc2c(n1)CCNC2)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.48
ITGB3 P05106 18/20 0.48
ITGB6 P18564 8/20 0.40
ITGB5 P18084 6/20 0.40
ITGB8 P26012 6/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 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
SCHEMBL24336636 0.88 ITGAV (0.46) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL21705492 0.85 ITGB3 (0.58) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL26480237 0.84 ITGAV (0.45) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL21705963 0.84 ITGAV (0.44) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL24363125 0.81 ITGAV (0.75) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL22029428 0.81 ITGAV (0.75) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL26480092 0.78 ITGAV (0.48) ITGAVITGB3ITGB6ITGB1ITGA4
SCHEMBL21705782 0.77 ITGAV (0.53) ITGAVITGB3ITGB6ITGB1ITGA4
SCHEMBL21705426 0.77 ITGAV (0.53) ITGAVITGB3ITGB6ITGB1ITGA4
SCHEMBL26480096 0.77 ITGAV (0.48) ITGAVITGB3ITGB6ITGB5ITGB8

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-2020033724-A1 INTEGRIN ANTAGONISTS THE GENERAL HOSPITAL CORPORATION (US) 2020-02-13 WO disclosed