SCHEMBL8790474

SCHEMBL8790474

COc1ccc(CCN(C)C(=O)CCCc2ccc(N)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.66
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56
AOC3 Q16853 2/20 0.50
PPIB P23284 1/20 0.46
F2RL1 P55085 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTB4R Q15722 3/20 0.44
LTB4R2 Q9NPC1 3/20 0.44
CALM1 P0DP23 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL8790187 0.86 LTB4R (0.59) ALOX5AOC3PPIBALDH1A1HTT
SCHEMBL8790338 0.85 CDK8 (0.63) AOC3ALDH1A1HTTLTB4RLTB4R2
SCHEMBL8790741 0.84 MAPK1 (0.56) ALOX5AOC3PPIBALDH1A1HTT
SCHEMBL8789569 0.83 ALOX5 (0.60) ALOX5BCHEACHEALDH1A1
SCHEMBL8790580 0.81 ALDH1A1 (0.61) ALOX5BCHEACHEPPIBF2RL1
SCHEMBL10691859 0.80 ALOX5 (1.00) ALOX5BCHEACHEF2RL1ALDH1A1
SCHEMBL31329297 0.80 ALOX5 (0.82) ALOX5BCHEACHEF2RL1ALDH1A1
SCHEMBL13792415 0.77 ALOX5 (0.77) ALOX5BCHEACHEF2RL1ALDH1A1
SCHEMBL9023046 0.77 ALOX5 (0.55) ALOX5BCHEACHEAOC3F2RL1
SCHEMBL31329298 0.77 ALOX5 (0.68) ALOX5BCHEACHEALDH1A1HTT

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