SCHEMBL21783702

SCHEMBL21783702

CC(C)(C)OC(=O)N1CCC(C(F)CCCCc2ccc3c(n2)NCCC3)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.55
ITGB6 P18564 12/20 0.55
ITGB3 P05106 8/20 0.47
ITGB5 P18084 4/20 0.47
ITGA2B P08514 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGB8 P26012 2/20 0.46

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
SCHEMBL21953942 0.87 ITGAV (0.41) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL25799526 0.86 ITGAV (0.40) ITGAVITGB6
SCHEMBL31075819 0.84 ITGAV (0.51) ITGAVITGB6ITGB3ITGB8
SCHEMBL31075783 0.84 ITGAV (0.51) ITGAVITGB6ITGB3ITGB8
SCHEMBL31075708 0.84 ITGAV (0.51) ITGAVITGB6ITGB3ITGB8
SCHEMBL21777604 0.84 GPR119 (0.39) ITGAVITGB6
SCHEMBL21777605 0.84 GPR119 (0.39) ITGAVITGB6
SCHEMBL21777433 0.84 ITGAV (0.54) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL21777434 0.84 ITGAV (0.54) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL21856588 0.83 ITGAV (0.39) ITGAVITGB6ITGB3ITGB5ITGA2B

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-2020047208-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed