SCHEMBL6657550

SCHEMBL6657550

Cc1cc(OCCC2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)c2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.40
HTR1D P28221 11/20 0.40
HTR1B P28222 11/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PSMD14 O00487 1/20 0.37
APAF1 O14727 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6660649 0.88 KDM1A (0.39) HTR1AMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL6663513 0.85 HTR1A (0.41) HTR1AHTR1DHTR1BSMN1; SMN2
SCHEMBL6656020 0.84 MAPT (0.39) KMT2AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL6656969 0.79 SLC2A1 (0.38) HTR1AMAPTSMN1; SMN2HTT
SCHEMBL6660658 0.79 CHRNB4 (0.43) HTR1AKMT2APOLBMAPTSMN1; SMN2
SCHEMBL6661589 0.78 LTA4H (0.41) KMT2AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL6658785 0.78 CHRNB4 (0.44) HTR1A
SCHEMBL6660137 0.77 CYP2D6 (0.42) MAPTSMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL6658483 0.77 MAPT (0.45) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL6657970 0.76 ACHE (0.39) KMT2AMAPTSMN1; SMN2MEN1ALDH1A1

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