SCHEMBL8808019

SCHEMBL8808019

COc1cccc(C(=O)c2ccc(OC)c(C(=O)Nc3ccc(CCCCN4CCc5cc(OC)c(OC)cc5C4)cc3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 18/20 0.62
ABCG2 Q9UNQ0 17/20 0.62
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56

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
SCHEMBL8806877 0.93 ABCG2 (0.70) ABCB1ABCG2
SCHEMBL8814681 0.92 ABCG2 (0.64) ABCB1ABCG2
SCHEMBL8807897 0.92 ABCB1 (0.68) ABCB1ABCG2DRD4DRD3
SCHEMBL8807537 0.92 ABCB1 (0.61) ABCB1ABCG2
SCHEMBL8806779 0.88 ABCG2 (0.67) ABCB1ABCG2
SCHEMBL8806791 0.86 ABCB1 (0.76) ABCB1ABCG2
SCHEMBL8809137 0.85 ABCG2 (0.70) ABCB1ABCG2
SCHEMBL8807182 0.84 ABCB1 (0.66) ABCB1ABCG2
SCHEMBL8808167 0.81 ABCG2 (0.88) ABCB1ABCG2DRD4DRD3
SCHEMBL7168653 0.81 ABCG2 (0.86) ABCB1ABCG2

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
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP disclosed