SCHEMBL4735182

SCHEMBL4735182

CCOC(=O)[C@H](Cc1ccc(-n2c([C@H]3CCCCN3)nc3cccnc32)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.55
ITGA4 P13612 10/20 0.55
ITGB7 P26010 1/20 0.41
AKT1 P31749 1/20 0.39
ITGA5 P08648 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
TP53 P04637 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL4733969 0.94 ITGA4 (0.54) ITGB1ITGA4MEN1KMT2APDE4B
SCHEMBL4730854 0.91 ITGB1 (0.64) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL4730816 0.91 ITGB1 (0.64) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL4732547 0.85 ITGA4 (0.62) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL4736103 0.85 ITGA4 (0.62) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL4736084 0.85 ITGA4 (0.62) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL4735453 0.82 ITGA4 (0.40) ITGB1ITGA4ITGB7ITGA5
SCHEMBL4734792 0.82 ITGA4 (0.40) ITGB1ITGA4ITGB7ITGA5
SCHEMBL4733515 0.81 ITGB1 (0.59) ITGB1ITGA4
SCHEMBL4736260 0.81 ITGB1 (0.59) ITGB1ITGA4

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