SCHEMBL6980960

SCHEMBL6980960

NCCCCN1CCc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.43
DRD2 P14416 5/20 0.43
HTR7 P34969 4/20 0.43
HTR1A P08908 2/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
ACACB O00763 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL7962844 0.95 ACACB (0.45) DRD3DRD2HTR7HTR1AHTR2A
SCHEMBL4382326 0.85 ACACB (0.46) DRD3DRD2HTR7HTR1AHTR2A
SCHEMBL6979867 0.81 PRMT5 (0.46) DRD3DRD2HTR7HTR1AHTR2A
SCHEMBL4390014 0.80 ACACB (0.51) DRD3DRD2HTR7HTR1AHTR2A
SCHEMBL8052500 0.79 CARM1 (0.49) DRD3DRD2HTR7HTR1ASLC6A4
SCHEMBL6369620 0.79 HRH3 (0.47) DRD3DRD2ACACB
SCHEMBL6984464 0.78 DRD3 (0.52) DRD3DRD2
SCHEMBL6977341 0.78 DRD2 (0.61) DRD3DRD2
SCHEMBL4229926 0.76 HTR7 (0.64) DRD3DRD2HTR7HTR1AHTR2A
SCHEMBL7844061 0.76 DRD2 (0.74) DRD3DRD2HTR7HTR1AHTR2A

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-0917530-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-02-19 EP disclosed
US-6046210-A ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-04 US disclosed
EP-0917530-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1999-05-26 EP disclosed
WO-1997043262-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-11-20 WO disclosed