SCHEMBL7401245

SCHEMBL7401245

NC(=O)c1ccc2c(c1)CCOC2CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 17/20 0.73
SLC6A4 P31645 3/20 0.73
DRD2 P14416 7/20 0.73
HTR2A P28223 5/20 0.73
HTR1A P08908 5/20 0.73
DRD4 P21917 4/20 0.73
HTR1B P28222 7/20 0.59
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA13 Q8N1Q1 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51

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 0.90 HTR1D (0.78) HTR1DSLC6A4DRD2HTR2AHTR1A
SCHEMBL8549393 0.89 HTR1D (0.77) HTR1DSLC6A4DRD2HTR2AHTR1A
SCHEMBL6811486 0.88 HTR1D (0.72) HTR1DSLC6A4DRD2HTR2AHTR1A
SCHEMBL8553214 0.87 HTR1D (0.79) HTR1DSLC6A4DRD2HTR2AHTR1A
SCHEMBL7403421 0.87 HTR1D (0.81) HTR1DSLC6A4DRD2HTR2AHTR1A
SCHEMBL7397421 0.87 HTR1D (0.84) HTR1DSLC6A4DRD2HTR2AHTR1A
SCHEMBL8551188 0.86 HTR1D (0.78) HTR1DSLC6A4DRD2HTR2AHTR1A
SCHEMBL6811907 0.86 HTR1D (0.83) HTR1DSLC6A4DRD2HTR2AHTR1A
SCHEMBL8550453 0.85 HTR1D (0.78) HTR1DSLC6A4DRD2HTR2AHTR1A
SCHEMBL8550426 0.85 HTR1D (0.65) HTR1DSLC6A4DRD2HTR2AHTR1A

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