SCHEMBL8744499

SCHEMBL8744499

CC(Br)Oc1cc(C(=O)NCCN2CCN(c3ccccn3)CC2)cc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.58
SLC6A4 P31645 2/20 0.57
DRD3 P35462 4/20 0.56
HTR1A P08908 6/20 0.49
HTR2A P28223 3/20 0.49
DRD2 P14416 3/20 0.49
HTR2C P28335 1/20 0.49
ADRA2A P08913 1/20 0.47
ADRA1A P35348 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
SCHEMBL8744497 0.88 SLC6A4 (0.61) DRD4SLC6A4DRD3HTR1AHTR2A
SCHEMBL8744506 0.86 SLC6A4 (0.59) DRD4SLC6A4DRD3HTR1AHTR2A
SCHEMBL8744556 0.84 DRD2 (0.68) DRD4SLC6A4DRD3HTR1AHTR2A
SCHEMBL8744557 0.83 ALDH1A1 (0.47) SLC6A4
SCHEMBL8744496 0.75 HTR1A (0.64) DRD4DRD3HTR1AHTR2ADRD2
SCHEMBL4006809 0.74 DRD4 (0.76) DRD4SLC6A4DRD3DRD2
SCHEMBL8744492 0.73 HTR1A (0.70) DRD4SLC6A4DRD3HTR1AHTR2A
SCHEMBL14761329 0.73 HTR1A (0.67) DRD4SLC6A4DRD3HTR1AHTR2A
SCHEMBL6984893 0.72 DRD3 (1.00) DRD4DRD3DRD2
SCHEMBL8744567 0.72 HTR1A (0.68) DRD4SLC6A4DRD3HTR1AHTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751939-A1 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-01-08 EP claimed