SCHEMBL4783431

SCHEMBL4783431

O=C(N[C@@H](Cc1ccc(-n2c(=O)[nH]c3cccnc32)cc1)C(=O)O)c1c(Cl)cncc1Cl

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 16/20 0.59
ITGB1 P05556 16/20 0.54
ITGB7 P26010 8/20 0.47
ITGA5 P08648 5/20 0.46
ITGAV P06756 2/20 0.46
ITGB3 P05106 1/20 0.46
ITGB8 P26012 1/20 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
SCHEMBL4814330 0.82 ITGA4 (0.53) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4735439 0.79 ITGA4 (0.65) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4736591 0.77 ITGA4 (0.55) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4733110 0.77 ITGA4 (0.59) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4734610 0.77 ITGA4 (0.61) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4736989 0.75 ITGA4 (0.77) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4736084 0.75 ITGA4 (0.62) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4732547 0.75 ITGA4 (0.62) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4736103 0.75 ITGA4 (0.62) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4818281 0.75 ITGA4 (0.53) ITGA4ITGB1ITGB7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008064823-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA, S.A. (BE) 2008-06-05 WO claimed
WO-2008064823-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA, S.A. (BE) 2008-06-05 WO disclosed