SCHEMBL6131981

SCHEMBL6131981

CC(c1ccc(O)c(F)c1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OGA O60502 12/20 0.61
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
PANK3 Q9H999 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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
Hydrochloric Acid SCHEMBL7690292 0.98 OGA (0.59) OGAKDM4ENPSR1DRD2DRD3
Hydrochloric Acid SCHEMBL7690290 0.98 OGA (0.59) OGAKDM4ENPSR1DRD2DRD3
SCHEMBL6131851 0.84 OGA (0.59) OGAKDM4ENPSR1
SCHEMBL6131879 0.84 OGA (0.59) OGAKDM4ENPSR1
Water SCHEMBL6131870 0.83 OGA (0.58) OGAKDM4ENPSR1
Water SCHEMBL7685626 0.83 OGA (0.58) OGAKDM4ENPSR1
Hydrochloric Acid SCHEMBL6131897 0.83 OGA (0.58) OGAKDM4ENPSR1
SCHEMBL12781731 0.81 OGA (0.50) OGAKDM4EDRD2DRD3SIGMAR1
SCHEMBL7697105 0.79 OGA (0.52) OGAPANK3
SCHEMBL10076572 0.79 OGA (0.65) OGAKDM4ENPSR1PANK3ADRB2

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