SCHEMBL5225360

SCHEMBL5225360

CN(C)CCN1C(=O)C(N)C(c2cccc(Cl)c2)Sc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1S Q13698 6/20 0.55
ITGB2 P05107 1/20 0.49
ICAM1 P05362 1/20 0.49
ITGAL P20701 1/20 0.49
CYP3A4 P08684 4/20 0.48
LMNA P02545 4/20 0.48
ABCB11 O95342 3/20 0.48
KCNH2 Q12809 3/20 0.48
CACNA1C Q13936 3/20 0.48
TSHR P16473 2/20 0.48
SLC22A1 O15245 2/20 0.48
CACNA1F O60840 2/20 0.48
ABCB1 P08183 2/20 0.48
HRH2 P25021 2/20 0.48
ADRA1A P35348 2/20 0.48
SCN1A P35498 2/20 0.48
SCN4A P35499 2/20 0.48
SCN7A Q01118 2/20 0.48
CACNA1D Q01668 2/20 0.48
SCN5A Q14524 2/20 0.48

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
SCHEMBL5225757 0.78 ITGB2 (0.50) CACNA1SITGB2ICAM1ITGALCYP3A4
SCHEMBL7330715 0.78 CACNA1S (0.80) CACNA1SITGB2ICAM1ITGALCYP3A4
SCHEMBL7326317 0.78 CACNA1S (0.80) CACNA1SITGB2ICAM1ITGALCYP3A4
SCHEMBL7330718 0.78 CACNA1S (0.80) CACNA1SITGB2ICAM1ITGALCYP3A4
SCHEMBL7326309 0.78 CACNA1S (0.80) CACNA1SITGB2ICAM1ITGALCYP3A4
Hydrochloric Acid SCHEMBL9505100 0.76 ITGB2 (0.50) CACNA1SITGB2ICAM1ITGALCYP3A4
SCHEMBL10538420 0.76 CACNA1S (0.60) CACNA1SITGB2ICAM1ITGALCYP3A4
SCHEMBL9505980 0.76 CACNA1S (0.60) CACNA1SITGB2ICAM1ITGALCYP3A4
SCHEMBL9506823 0.75 CACNA1S (0.62) CACNA1SITGB2ICAM1ITGALCYP3A4
SCHEMBL24711104 0.74 CACNA1S (0.66) CACNA1SCYP3A4LMNAABCB11KCNH2

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-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO disclosed