SCHEMBL8790618

SCHEMBL8790618

COc1cc2c(cc1OC)CN(CCCOc1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.71
MAOB P27338 2/20 0.61
MAOA P21397 1/20 0.61
ABCG2 Q9UNQ0 2/20 0.60
ABCC1 P33527 4/20 0.58
HTR5A P47898 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
TMEM97 Q5BJF2 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53

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
SCHEMBL8807086 0.97 ABCB1 (0.71) ABCB1MAOBMAOAABCG2ABCC1
SCHEMBL8789776 0.87 ABCB1 (0.65) ABCB1MAOBMAOAABCC1TMEM97
SCHEMBL8790224 0.85 ABCB1 (0.62) ABCB1MAOBMAOAABCC1TMEM97
SCHEMBL8791612 0.85 ABCB1 (0.58) ABCB1ABCG2TMEM97
SCHEMBL8790054 0.85 ABCB1 (0.71) ABCB1ABCG2ABCC1TMEM97
SCHEMBL17664978 0.84 ABCB1 (0.69) ABCB1ABCG2
SCHEMBL8789531 0.83 ABCB1 (0.81) ABCB1ABCG2
SCHEMBL8789322 0.83 HTR5A (0.67) MAOBMAOAHTR5ATDP1HRH3
SCHEMBL8789885 0.83 ABCB1 (0.78) ABCB1MAOBMAOAABCG2ABCC1
SCHEMBL7256134 0.83 ABCB1 (0.78) ABCB1MAOBMAOAABCC1TDP1

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
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