SCHEMBL6132063

SCHEMBL6132063

CNC(=O)Oc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
TDP1 Q9NUW8 1/20 0.66
ABCB1 P08183 13/20 0.63
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
RAB9A P51151 1/20 0.60
ABCC1 P33527 4/20 0.59
KMT2A Q03164 1/20 0.59
ABCG2 Q9UNQ0 2/20 0.58
PDE4B Q07343 1/20 0.55
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TAAR1 Q96RJ0 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
SCHEMBL6131953 0.87 KDM4E (0.66) KDM4ETDP1ABCB1MAPTGAA
SCHEMBL3059412 0.80 KDM4E (0.86) KDM4ETDP1ABCB1MAPTGAA
SCHEMBL6132050 0.80 ABCB1 (0.82) KDM4ETDP1ABCB1MAPTGAA
SCHEMBL6131920 0.80 KMT2A (0.57) KDM4EKMT2AALDH1A1
SCHEMBL6131918 0.78 KMT2A (0.55) KDM4EKMT2AALDH1A1
SCHEMBL6131995 0.77 MAPT (0.61) KDM4EMAPTKMT2AALDH1A1NPSR1
SCHEMBL9416542 0.76 KDM4E (0.79) KDM4ETDP1ABCB1MAPTGAA
SCHEMBL29836069 0.76 KDM4E (0.93) KDM4ETDP1ABCB1MAPTGAA
Hydrochloric Acid SCHEMBL6131860 0.76 SMN1; SMN2 (0.60) KDM4EMAPTKMT2AALDH1A1NPSR1
SCHEMBL6131943 0.76 KDM4E (0.63) KDM4ETDP1KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed