SCHEMBL6963339

SCHEMBL6963339

Cc1ccc(N2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 17/20 1.00
DRD2 P14416 15/20 1.00
DRD3 P35462 11/20 1.00
HTR1A P08908 2/20 0.80
CHRM5 P08912 1/20 0.80
ADRA2A P08913 1/20 0.80
ADRA2B P18089 1/20 0.80
HTR2A P28223 1/20 0.80
ADRA1B P35368 1/20 0.80
TMEM97 Q5BJF2 1/20 0.80
SIGMAR1 Q99720 1/20 0.80
PARP1 P09874 1/20 0.52
HTR1D P28221 1/20 0.52
NSD2 O96028 1/20 0.49

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
SCHEMBL6908421 0.92 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6906626 0.89 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6910062 0.89 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6907359 0.88 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6909154 0.88 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6901807 0.85 DRD4 (0.74) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL16089375 0.84 DRD4 (0.71) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6906064 0.84 DRD4 (0.78) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6906052 0.84 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6907908 0.83 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