SCHEMBL9725016

SCHEMBL9725016

O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)n2)CC1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.73
DRD3 P35462 13/20 0.73
HTR2A P28223 5/20 0.73
DRD2 P14416 10/20 0.60
HTR2C P28335 1/20 0.60
DRD4 P21917 2/20 0.57
OPRM1 P35372 3/20 0.55
ADRA1A P35348 1/20 0.55

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
SCHEMBL9725045 0.93 HTR1A (0.84) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL9724927 0.92 HTR1A (0.87) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL14761321 0.86 DRD3 (0.77) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL9725005 0.84 HTR1A (1.00) HTR1ADRD3HTR2ADRD2DRD4
SCHEMBL4522254 0.84 DRD3 (1.00) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL14761844 0.83 DRD3 (0.72) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL4534941 0.82 DRD3 (1.00) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL27726458 0.80 HTR1A (0.73) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL7132544 0.80 DRD2 (0.74) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL14761918 0.78 HTR1A (0.66) HTR1ADRD3HTR2ADRD4

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
US-5135931-A Antidepressants, psychological disorders, nervous system disorders AKZO N.V. (NL) 1992-08-04 US disclosed
EP-0462638-A1 Pyridinylpiperazine derivatives Akzo Nobel N.V. (NL) 1991-12-27 EP disclosed