SCHEMBL8789946

SCHEMBL8789946

COc1cc(OCCCN(C)Cc2ccc(OC)c(OC)c2)ccc1NC(=O)c1cccc2c(=O)c3cccc(OC)c3[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.48
▸ ABCB1 P08183 2/20 0.47
▸ ACHE P22303 10/20 0.44
▸ BCHE P06276 8/20 0.44
▸ OPRM1 P35372 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ HCRTR2 O43614 1/20 0.41

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
SCHEMBL8792167 0.94 ABCG2 (0.47) ABCG2ABCB1ACHEBCHEOPRM1
SCHEMBL8790980 0.93 ABCG2 (0.46) ABCG2ABCB1ACHEBCHEOPRM1
SCHEMBL8789987 0.91 ABCG2 (0.47) ABCG2ABCB1ACHEBCHEOPRM1
SCHEMBL8790309 0.91 ABCG2 (0.52) ABCG2ABCB1ACHEBCHEOPRM1
SCHEMBL8790765 0.91 ABCG2 (0.56) ABCG2ABCB1ACHEBCHEOPRM1
SCHEMBL8790178 0.91 ABCG2 (0.53) ABCG2ABCB1OPRM1TMEM97SIGMAR1
SCHEMBL8790958 0.90 ABCG2 (0.53) ABCG2ABCB1OPRM1TMEM97SIGMAR1
SCHEMBL8790718 0.89 ABCG2 (0.47) ABCG2ABCB1ACHEBCHEOPRM1
SCHEMBL8789576 0.88 ABCG2 (0.56) ABCG2ABCB1ACHEBCHEOPRM1
SCHEMBL8836378 0.88 ABCG2 (0.45) ABCG2ABCB1ACHEBCHEOPRM1

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-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 — — EP disclosed
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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