SCHEMBL8790607

SCHEMBL8790607

COc1cc2c(cc1OC)CN(CCOc1ccc(N)cc1)CC2

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.78
ABCC1 P33527 3/20 0.60
ABCG2 Q9UNQ0 3/20 0.56
MAOB P27338 2/20 0.56
MAOA P21397 1/20 0.56
REV1 Q9UBZ9 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
GFER P55789 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL8789885 0.94 ABCB1 (0.78) ABCB1ABCC1ABCG2MAOBMAOA
SCHEMBL2771882 0.82 ABCB1 (0.78) ABCB1ABCG2KMT2A
SCHEMBL8790998 0.82 ABCB1 (0.71) ABCB1ABCC1MAOBMAOA
SCHEMBL4417186 0.81 ABCB1 (0.55) ABCB1ABCG2ALDH1A1LMNAMAPT
SCHEMBL7256134 0.81 ABCB1 (0.78) ABCB1ABCC1MAOBMAOAREV1
Hydrochloric Acid SCHEMBL10661663 0.81 ABCB1 (0.76) ABCB1ABCG2KMT2A
SCHEMBL8808208 0.80 PRMT5 (0.60) ABCB1KMT2A
SCHEMBL8789908 0.80 ABCB1 (0.69) ABCB1ABCC1MAOBMAOA
SCHEMBL8790535 0.80 ABCB1 (0.68) ABCB1ABCG2KMT2A
SCHEMBL8790123 0.80 ABCB1 (0.58) ABCB1ABCG2MAOBMAOA

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