SCHEMBL8744506

SCHEMBL8744506

O=C(NCCN1CCN(c2ccccn2)CC1)c1cc(OCCBr)c2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.59
DRD4 P21917 1/20 0.57
DRD3 P35462 4/20 0.56
HTR1A P08908 5/20 0.51
HTR2A P28223 3/20 0.51
DRD2 P14416 3/20 0.51
HTR2C P28335 1/20 0.51
ADRA2A P08913 1/20 0.46

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 0.93 SLC6A4 (0.61) SLC6A4DRD4DRD3HTR1AHTR2A
SCHEMBL8744499 0.86 DRD4 (0.58) SLC6A4DRD4DRD3HTR1AHTR2A
SCHEMBL8744567 0.83 HTR1A (0.68) SLC6A4DRD4DRD3HTR1AHTR2A
SCHEMBL8744496 0.80 HTR1A (0.64) DRD4DRD3HTR1AHTR2ADRD2
SCHEMBL8744492 0.76 HTR1A (0.70) SLC6A4DRD4DRD3HTR1AHTR2A
SCHEMBL8744498 0.75 HTR1A (0.49) DRD4DRD3HTR1AHTR2ADRD2
SCHEMBL8744531 0.74 HTR1A (0.61) DRD4DRD3HTR1AHTR2ADRD2
SCHEMBL14761329 0.74 HTR1A (0.67) SLC6A4DRD4DRD3HTR1AHTR2A
SCHEMBL8744494 0.73 DRD4 (0.53) DRD4DRD3HTR1AHTR2ADRD2
SCHEMBL4006809 0.73 DRD4 (0.76) SLC6A4DRD4DRD3DRD2

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 2 patents. 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
EP-0751939-A1 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-01-08 EP disclosed