SCHEMBL6967341

SCHEMBL6967341

COc1ccc2c(c1)c(OCC(=O)c1ccc3c(c1)CCC(=O)N3)nn2CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
ACHE P22303 5/20 0.42
CNR2 P34972 4/20 0.42
CNR1 P21554 3/20 0.42
CRBN Q96SW2 3/20 0.37
BCHE P06276 2/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL6970836 0.77 PKM (0.40) MAPTPOLBCRBNSMN1; SMN2ALDH1A1
SCHEMBL6970142 0.74 CNR2 (0.54) MAPTACHECNR2CNR1BCHE
SCHEMBL6973625 0.73 ALDH1A1 (0.51) MAPTPOLBACHECNR2CNR1
SCHEMBL6973555 0.72 ACHE (0.48) MAPTPOLBACHECNR2CNR1
SCHEMBL6967696 0.71 ACHE (0.44) MAPTACHECNR2CNR1SMN1; SMN2
SCHEMBL6975193 0.71 CNR2 (0.51) MAPTACHECNR2CNR1BCHE
SCHEMBL6968101 0.70 CNR2 (0.48) MAPTACHECNR2CNR1BCHE
SCHEMBL6970884 0.70 CNR2 (0.54) ACHECNR2CNR1BCHEPIK3R1
SCHEMBL6977942 0.68 CNR2 (0.44) MAPTPOLBACHECNR2CNR1
SCHEMBL8042454 0.68 KCNA5 (0.42) MAPTPOLBCRBNSMN1; SMN2ALDH1A1

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
EP-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP claimed