SCHEMBL8550426

SCHEMBL8550426

NC(=O)c1ccc2c(c1)CCOC2CCN1CCN(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.65
HTR1A P08908 6/20 0.65
DRD2 P14416 5/20 0.65
HTR2A P28223 5/20 0.65
DRD4 P21917 2/20 0.65
HTR1B P28222 9/20 0.63
SLC6A4 P31645 4/20 0.63

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
SCHEMBL7400675 0.89 HTR1D (0.78) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL7401245 0.85 HTR1D (0.73) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL8551188 0.82 HTR1D (0.78) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL8553214 0.82 HTR1D (0.79) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL7397421 0.81 HTR1D (0.84) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL7403421 0.81 HTR1D (0.81) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL8549393 0.81 HTR1D (0.77) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL6811486 0.81 HTR1D (0.72) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL5090634 0.80 HTR1D (0.63) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL7403907 0.79 HTR1D (0.65) HTR1DHTR1ADRD2HTR2ADRD4

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-0836599-A1 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES PHARMACIA & UPJOHN COMPANY (US) 1998-04-22 EP claimed
EP-0836599-A1 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES PHARMACIA & UPJOHN COMPANY (US) 1998-04-22 EP disclosed