SCHEMBL4750641

SCHEMBL4750641

O=C(N[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O)C1CCCN(C2CCCCC2)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.61
ITGAV P06756 1/20 0.61
ITGA4 P13612 13/20 0.44
ITGB7 P26010 5/20 0.44
KDM2B Q8NHM5 3/20 0.44
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
ABL1 P00519 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL3318583 0.81 ITGB1 (0.59) ITGB1ITGAVITGA4ITGB7
SCHEMBL3317244 0.81 ITGB1 (0.70) ITGB1ITGAVITGA4ITGB7ABL1
SCHEMBL3312810 0.80 ITGB1 (0.60) ITGB1ITGAVITGA4ITGB7ABL1
SCHEMBL3320849 0.78 ITGB1 (0.56) ITGB1ITGAVITGA4ITGB7
SCHEMBL4625053 0.78 ITGB1 (0.56) ITGB1ITGAVITGA4ITGB7
Bicarbonate SCHEMBL4625471 0.77 ITGB1 (0.63) ITGB1ITGAVITGA4ITGB7ABL1
Bicarbonate SCHEMBL4625273 0.77 ITGB1 (0.63) ITGB1ITGAVITGA4ITGB7ABL1
SCHEMBL6140062 0.77 ITGB1 (0.59) ITGB1ITGAVITGA4ITGB7ABL1
SCHEMBL6139884 0.77 ITGB1 (0.59) ITGB1ITGAVITGA4ITGB7ABL1
SCHEMBL3313373 0.76 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7

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-2008125215-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA, S.A. (BE) 2008-10-23 WO disclosed