SCHEMBL9035501

SCHEMBL9035501

O=C1c2ccccc2C(=O)N1CCCCN1CC2Cc3cccc(O)c3C2C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.50
HTR1A P08908 5/20 0.50
HTR7 P34969 2/20 0.50
HRH1 P35367 1/20 0.50
HTR2B P41595 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DRD2 P14416 3/20 0.43
DRD4 P21917 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL9035618 0.84 HTR1A (0.58) DRD3HTR1AHTR7KDM4EALDH1A1
SCHEMBL3886553 0.80 HTR1A (0.58) DRD3HTR1AHTR7HRH1HTR2B
SCHEMBL3893010 0.80 HTR1A (0.58) DRD3HTR1AHTR7HRH1HTR2B
SCHEMBL9035193 0.80 HTR1A (0.47) DRD3HTR1AHRH1DRD2
SCHEMBL9036829 0.78 HTR1A (0.47) HTR1ADRD2
SCHEMBL9457777 0.72 HTR1A (0.45) DRD3HTR1AHTR7HRH1HTR2B
Bromide SCHEMBL9457907 0.71 HTR1A (0.44) DRD3HTR1AHTR7HRH1HTR2B
SCHEMBL20358477 0.70 HTR1A (0.80) DRD3HTR1AHTR7HRH1HTR2B
SCHEMBL16406297 0.69 HTR1A (0.67) DRD3HTR1AHTR7KDM4EALDH1A1
SCHEMBL14028451 0.68 HTR1A (0.79) DRD3HTR1ADRD2MAOB

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-0422134-B1 5-HT SELECTIVE AGENTS ABBOTT LAB (US) 1996-06-12 EP claimed
EP-0422134-B1 5-HT SELECTIVE AGENTS ABBOTT LAB (US) 1996-06-12 EP disclosed