SCHEMBL7399900

SCHEMBL7399900

CCCCOc1ccc(N2CCN(CCC3OCCc4cc(C(N)=O)ccc43)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 15/20 0.81
DRD2 P14416 7/20 0.81
HTR2A P28223 6/20 0.81
HTR1A P08908 6/20 0.81
DRD4 P21917 4/20 0.81
SLC6A4 P31645 3/20 0.68
HTR1B P28222 6/20 0.67

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
SCHEMBL7403625 0.89 HTR1D (1.00) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL8550714 0.89 HTR1D (1.00) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL8550158 0.89 HTR1D (1.00) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL8549482 0.87 HTR1D (0.81) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL8550453 0.87 HTR1D (0.78) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL7401853 0.86 HTR1D (0.75) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL7403421 0.86 HTR1D (0.81) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL7399795 0.86 DRD2 (0.59) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL8553214 0.85 HTR1D (0.79) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL7397421 0.85 HTR1D (0.84) HTR1DDRD2HTR2AHTR1ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737189-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS UPJOHN CO (US) 1999-07-28 EP claimed
EP-0737189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1996-10-16 EP claimed
WO-1995018118-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1995-07-06 WO claimed
US-6133446-A Heterocyclic compounds for the treatment of CNS and cardiovascular disorders PHARMACIA & UPJOHN COMPANY (US) 2000-10-17 US disclosed
EP-0737189-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS UPJOHN CO (US) 1999-07-28 EP disclosed
US-5877317-A Heterocyclic compounds for the treatment of CNS and cardiovascular disorders PHARMACIA & UPJOHN COMPANY (US) 1999-03-02 US disclosed
EP-0737189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1996-10-16 EP disclosed
WO-1995018118-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1995-07-06 WO disclosed