SCHEMBL8790232

SCHEMBL8790232

COc1ccc(CN(C)CCCc2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.54
▸ ABCB1 P08183 3/20 0.54
▸ OPRK1 P41145 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ OPRM1 P35372 3/20 0.42
▸ TMEM97 Q5BJF2 3/20 0.42
▸ SIGMAR1 Q99720 3/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MC4R P32245 1/20 0.40
▸ TP53 P04637 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GUSB P08236 1/20 0.40

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
SCHEMBL8789279 0.98 ABCG2 (0.53) ABCG2ABCB1OPRK1MAPTBCHE
SCHEMBL8789907 0.97 ABCG2 (0.52) ABCG2ABCB1OPRK1MAPTBCHE
SCHEMBL8789595 0.96 ABCG2 (0.54) ABCG2ABCB1OPRK1MAPTBCHE
SCHEMBL8791638 0.94 ABCG2 (0.51) ABCG2ABCB1OPRK1MAPTBCHE
SCHEMBL8790168 0.93 ABCG2 (0.62) ABCG2ABCB1OPRK1MAPTBCHE
SCHEMBL8790519 0.92 ABCG2 (0.48) ABCG2ABCB1OPRK1MAPTBCHE
SCHEMBL8789985 0.91 ABCG2 (0.51) ABCG2ABCB1OPRK1OPRM1TMEM97
SCHEMBL8789486 0.90 ABCG2 (0.61) ABCG2ABCB1OPRK1MAPTBCHE
SCHEMBL8790077 0.90 ABCG2 (0.47) ABCG2ABCB1OPRK1MAPTBCHE
SCHEMBL8790193 0.90 ABCG2 (0.51) ABCG2ABCB1OPRK1MAPTACHE

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 — — EP claimed
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 claimed
EP-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 — — EP claimed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 — — WO claimed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 — — EP claimed
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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