SCHEMBL4736897

SCHEMBL4736897

CCOC(=O)[C@H](Cc1ccc(Nc2ncccc2N)cc1)NC1=CC(=O)C12CCC(OCc1ccccc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.39
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
ELANE P08246 1/20 0.35

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
SCHEMBL4734039 0.87 MMP1 (0.42) MMP1ELANE
SCHEMBL4734043 0.87 MMP1 (0.42) MMP1ELANE
SCHEMBL4735581 0.87 ITGB1 (0.46) ITGB1ITGA4ELANE
SCHEMBL4736663 0.81 ITGB1 (0.44) ITGB1ITGA4ELANE
SCHEMBL4737029 0.80 BCHE (0.41) MMP1ITGA4ELANE
SCHEMBL4737032 0.80 BCHE (0.41) MMP1ITGA4ELANE
SCHEMBL4737637 0.77 ITGB1 (0.42) ITGB1ITGA4ELANE
SCHEMBL4733784 0.75 MAPT (0.52) ITGB1ITGA4
SCHEMBL4739188 0.74 ITGB1 (0.45) ITGB1ITGA4ELANE
SCHEMBL4786471 0.73 ITGB1 (0.44) ITGB1ITGA4ELANE

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-2008064830-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES UCB PHARMA, S.A. (BE) 2008-06-05 WO claimed
WO-2008064830-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES UCB PHARMA, S.A. (BE) 2008-06-05 WO disclosed