SCHEMBL6661071

SCHEMBL6661071

O=C(c1ccccc1)c1cccc(OCCC2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
TEAD1 P28347 1/20 0.39
TEAD3 Q99594 1/20 0.39
DGAT1 O75907 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
ABCB1 P08183 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 2/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL6657776 0.90 MAOB (0.48) CHRNB4CHRNA3ALDH1A1CHRNB2CHRNA4
SCHEMBL6656357 0.89 ALDH1A1 (0.44) CHRNB4CHRNA3MAPTALDH1A1CHRNB2
SCHEMBL6658785 0.88 CHRNB4 (0.44) HRH3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6658483 0.85 MAPT (0.45) HRH3CHRNB4CHRNA3MAPTLMNA
SCHEMBL6660658 0.85 CHRNB4 (0.43) CHRNB4CHRNA3MAPTLMNAALDH1A1
SCHEMBL6661589 0.84 LTA4H (0.41) HRH3TEAD1TEAD3CHRNB4CHRNA3
SCHEMBL6657190 0.83 KCNH2 (0.42) CHRNB4CHRNA3MAPTCHRNB2CHRNA4
SCHEMBL6657970 0.79 ACHE (0.39) CHRNB4CHRNA3MAPTLMNAALDH1A1
SCHEMBL6659951 0.79 MAPT (0.40) CHRNB4CHRNA3MAPTMEN1KMT2A
SCHEMBL6657367 0.78 HTR6 (0.42) HRH3ALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004004715-A2 NOVEL DELTA OPIOID RECEPTOR LIGANDS GLAXOSMITHKLINE SPA (IT) 2004-01-15 WO disclosed