SCHEMBL9186161

SCHEMBL9186161

CCOc1ccc(Br)c2c(C(=O)NCCN3CCN(c4ccccn4)CC3)cccc12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.69
DRD4 P21917 1/20 0.54
DRD2 P14416 3/20 0.47
HTR1A P08908 2/20 0.47
HTR2A P28223 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
SCHEMBL6982536 0.82 DRD3 (1.00) DRD3DRD2
SCHEMBL6984893 0.77 DRD3 (1.00) DRD3DRD4DRD2
SCHEMBL4006809 0.70 DRD4 (0.76) DRD3DRD4DRD2
SCHEMBL8744497 0.70 SLC6A4 (0.61) DRD3DRD4DRD2HTR1AHTR2A
SCHEMBL8744499 0.69 DRD4 (0.58) DRD3DRD4DRD2HTR1AHTR2A
SCHEMBL8744506 0.69 SLC6A4 (0.59) DRD3DRD4DRD2HTR1AHTR2A
SCHEMBL14761329 0.69 HTR1A (0.67) DRD3DRD4DRD2HTR1AHTR2A
SCHEMBL5658247 0.68 HTR1A (0.53) DRD4DRD2HTR1AHTR2AADRA1A
SCHEMBL6986277 0.67 DRD3 (1.00) DRD3DRD4DRD2
SCHEMBL5658252 0.67 ALDH1A1 (0.59) DRD3DRD4DRD2HTR1AHTR2A

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
US-5395835-A Antipsychotic agents WARNER-LAMBERT COMPANY (US) 1995-03-07 US disclosed