SCHEMBL8776471

SCHEMBL8776471

c1cnc(N2CCN(CCCCc3ncc[nH]3)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.56
DRD2 P14416 6/20 0.56
HTR2A P28223 4/20 0.56
DRD3 P35462 4/20 0.56
DRD1 P21728 2/20 0.56
DRD5 P21918 1/20 0.56
DRD4 P21917 2/20 0.50
HTR7 P34969 1/20 0.50
ALOX15 P16050 1/20 0.47
HRH3 Q9Y5N1 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
SCHEMBL27491540 0.81 ALOX15 (0.74) HTR1ADRD2DRD3DRD4ALOX15
SCHEMBL26492991 0.80 HTR1A (0.65) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL26108581 0.80 HTR1A (0.65) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL27279466 0.80 ALOX15 (0.49) ALOX15HRH3
SCHEMBL8106008 0.80 HTR1A (0.59) HTR1ADRD2HTR2ADRD3DRD1
Hydrochloric Acid SCHEMBL26108377 0.78 DRD2 (0.63) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL9866240 0.77 ALOX15 (0.53) ALOX15HRH3
SCHEMBL9867321 0.77 ALOX15 (0.49) HTR2AALOX15HRH3
SCHEMBL7100019 0.76 ALOX15 (0.51) ALOX15HRH3
SCHEMBL7449486 0.76 TBXAS1 (0.56) HTR1ADRD2DRD3DRD4HTR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808166-A1 MEDICAMENT INTENDED TO THE TREATMENT OF OBSESSIVE COMPULSIVE TROUBLES, SLEEP APNOEA, SEXUAL DYSFUNCTIONS, EMESA AND TRANSPORT SICKNESS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-11-26 EP claimed
WO-1997021439-A1 MEDICAMENT INTENDED TO THE TREATMENT OF OBSESSIVE COMPULSIVE TROUBLES, SLEEP APNOEA, SEXUAL DYSFUNCTIONS, EMESA AND TRANSPORT SICKNESS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-06-19 WO claimed
EP-0808166-A1 MEDICAMENT INTENDED TO THE TREATMENT OF OBSESSIVE COMPULSIVE TROUBLES, SLEEP APNOEA, SEXUAL DYSFUNCTIONS, EMESA AND TRANSPORT SICKNESS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-11-26 EP disclosed
WO-1997021439-A1 MEDICAMENT INTENDED TO THE TREATMENT OF OBSESSIVE COMPULSIVE TROUBLES, SLEEP APNOEA, SEXUAL DYSFUNCTIONS, EMESA AND TRANSPORT SICKNESS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-06-19 WO disclosed