SCHEMBL6971770

SCHEMBL6971770

O=C1COc2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2N1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.80
DRD2 P14416 11/20 0.80
DRD3 P35462 9/20 0.80
HTR1A P08908 2/20 0.68
CHRM5 P08912 1/20 0.68
ADRA2A P08913 1/20 0.68
ADRA2B P18089 1/20 0.68
HTR2A P28223 1/20 0.68
ADRA1B P35368 1/20 0.68
TMEM97 Q5BJF2 1/20 0.68
SIGMAR1 Q99720 1/20 0.68
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.59
PARP1 P09874 2/20 0.59
NR3C2 P08235 2/20 0.57
HTR1D P28221 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL6909507 0.89 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6908421 0.89 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6906039 0.89 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6906003 0.88 DRD4 (0.76) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6901902 0.86 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL2121189 0.86 DRD4 (0.79) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6909124 0.85 DRD4 (0.74) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6904909 0.85 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6962786 0.85 DRD4 (0.80) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6907908 0.84 DRD4 (0.84) DRD4DRD2DRD3HTR1ACHRM5

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-0906294-B1 BENZOXAZINONE DOPAMINE D4 RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2003-01-29 EP claimed
US-6177422-B1 ANTIPSYCHOTIC AGENT WITH REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US claimed
EP-0906294-B1 BENZOXAZINONE DOPAMINE D4 RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2003-01-29 EP disclosed
US-6177422-B1 ANTIPSYCHOTIC AGENT WITH REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US disclosed