SCHEMBL6131991

SCHEMBL6131991

CNC(=O)Oc1ccc(CCN2CCN(c3ccc4ccccc4n3)CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.48
ABCB1 P08183 1/20 0.48
PKM P14618 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
NOD2 Q9HC29 1/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
EBP Q15125 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
DRD2 P14416 2/20 0.45
TMEM97 Q5BJF2 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL6131865 0.90 NPC1 (0.49) DRD3ABCB1PKMNPC1RAB9A
SCHEMBL6131988 0.89 DRD3 (0.48) DRD3ABCB1PKMNPC1RAB9A
SCHEMBL6131974 0.83 NPC1 (0.54) DRD3NPC1RAB9AKMT2AADRA1D
SCHEMBL6131928 0.81 ADRA1D (0.57) DRD3KMT2AADRA1DADRA1AADRA1B
SCHEMBL6131874 0.81 ADRA1D (0.57) DRD3KMT2AMEN1ADRA1DADRA1A
SCHEMBL6131799 0.80 ADRA1D (0.56) KMT2AMEN1ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6132049 0.79 ADRA1D (0.55) DRD3KMT2AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7693705 0.79 HRH3 (0.47) NPC1RAB9AKMT2AHRH3
SCHEMBL6132007 0.78 ADRA1D (0.76) KMT2AADRA1DADRA1AADRA1B
SCHEMBL6131894 0.78 ADRA1D (0.53) DRD3ADRA1DADRA1AADRA1BEBP

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 6 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 claimed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP claimed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO claimed
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP 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