SCHEMBL7354728

SCHEMBL7354728

CCOC(=O)CC(C)N1C(=O)c2cc(CCc3cc(C#N)cs3)ccc2N(c2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.33
MDM2 Q00987 3/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL7356935 0.92 ELANE (0.31) ELANEMAPT
SCHEMBL7357388 0.92 MDM2 (0.33) MDM2TP53
SCHEMBL7355407 0.91 MDM2 (0.33) MDM2TP53
SCHEMBL7362794 0.90 MAPT (0.36) MDM2TP53MAPT
SCHEMBL7324070 0.89 ELANE (0.36) ELANEMDM2TP53CYP3A4
SCHEMBL8843197 0.84 MAPT (0.32) ELANEMDM2MAPT
SCHEMBL7363260 0.84 ITGB3 (0.34) MAPT
SCHEMBL7356241 0.84 MDM2 (0.32) MDM2TP53
SCHEMBL7354809 0.83 ITGB3 (0.34) MDM2TP53
SCHEMBL7333912 0.82 ELANE (0.39) ELANEMDM2TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed