SCHEMBL8806791

SCHEMBL8806791

COc1cc2c(cc1OC)CN(CCCCc1ccc(NC(=O)c3cccc(C(=O)c4ccccc4)c3)cc1)CC2

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 19/20 0.76
ABCG2 Q9UNQ0 17/20 0.76

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
SCHEMBL8806779 0.94 ABCG2 (0.67) ABCB1ABCG2
SCHEMBL8809502 0.94 ABCB1 (0.86) ABCB1ABCG2
SCHEMBL8807182 0.94 ABCB1 (0.66) ABCB1ABCG2
SCHEMBL8807897 0.93 ABCB1 (0.68) ABCB1ABCG2
SCHEMBL8809137 0.93 ABCG2 (0.70) ABCB1ABCG2
SCHEMBL8806877 0.91 ABCG2 (0.70) ABCB1ABCG2
SCHEMBL8808324 0.88 ABCB1 (0.65) ABCB1ABCG2
SCHEMBL8808167 0.87 ABCG2 (0.88) ABCB1ABCG2
SCHEMBL8807475 0.87 ABCG2 (0.63) ABCB1ABCG2
SCHEMBL7168467 0.86 ABCB1 (1.00) 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