SCHEMBL21784941

SCHEMBL21784941

COCCc1ccc2c(n1)NCCC2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.54
ITGB6 P18564 11/20 0.54
ITGB3 P05106 17/20 0.52
ITGB5 P18084 5/20 0.50
CXCR4 P61073 1/20 0.50
ITGB1 P05556 1/20 0.50
ITGA2B P08514 1/20 0.47

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
SCHEMBL27402960 0.90 ITGAV (0.62) ITGAVITGB6ITGB3ITGB5
SCHEMBL21351206 0.85 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5CXCR4
SCHEMBL21329049 0.84 ITGAV (0.56) ITGAVITGB6ITGB3ITGB5CXCR4
SCHEMBL29416481 0.84 ITGAV (0.56) ITGAVITGB6ITGB3ITGB5CXCR4
SCHEMBL7797597 0.83 ITGAV (0.51) ITGAVITGB6ITGB3ITGB5CXCR4
SCHEMBL27130457 0.83 ITGAV (0.60) ITGAVITGB6ITGB3
SCHEMBL30673942 0.83 ITGAV (0.55) ITGAVITGB6ITGB3ITGB5
SCHEMBL23816697 0.82 ITGAV (0.50) ITGAVITGB6ITGB3ITGB5CXCR4
SCHEMBL14655007 0.82 CXCR4 (0.51) ITGAVITGB6ITGB3ITGB5CXCR4
SCHEMBL4714404 0.81 ITGB3 (0.52) ITGAVITGB6ITGB3ITGB5CXCR4

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-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed