SCHEMBL8836378

SCHEMBL8836378

COc1ccc(CN(C)CCCOc2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)c(C)c2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.45
▸ HCRTR2 O43614 1/20 0.41
▸ ACHE P22303 11/20 0.41
▸ BCHE P06276 6/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ABCB1 P08183 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ OPRK1 P41145 1/20 0.39

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
SCHEMBL8790980 0.94 ABCG2 (0.46) ABCG2HCRTR2ACHEBCHEABCB1
SCHEMBL8790718 0.94 ABCG2 (0.47) ABCG2ACHEBCHEMAPTABCB1
SCHEMBL8790170 0.92 ABCG2 (0.45) ABCG2HCRTR2ACHEBCHEABCB1
SCHEMBL8790242 0.91 ABCG2 (0.56) ABCG2ACHEBCHEMAPTOPRM1
SCHEMBL8789987 0.91 ABCG2 (0.47) ABCG2ACHEBCHEMAPTABCB1
SCHEMBL8789684 0.91 ABCG2 (0.49) ABCG2MAPTABCB1OPRM1TMEM97
SCHEMBL8792324 0.90 ABCG2 (0.50) ABCG2MAPTABCB1OPRM1TMEM97
SCHEMBL8790519 0.90 ABCG2 (0.48) ABCG2HCRTR2ACHEBCHEMAPT
SCHEMBL8792167 0.89 ABCG2 (0.47) ABCG2HCRTR2ACHEBCHEABCB1
SCHEMBL8789946 0.88 ABCG2 (0.48) ABCG2HCRTR2ACHEBCHEABCB1

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-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 — — US disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 — — EP disclosed
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