SCHEMBL6926928

SCHEMBL6926928

c1ccc(Cn2c3ccccc3c3c(OCCN4CCCCC4)cccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.54
HRH1 P35367 5/20 0.54
DRD1 P21728 2/20 0.54
DRD4 P21917 2/20 0.54
DRD5 P21918 2/20 0.54
DRD3 P35462 2/20 0.54
DRD2 P14416 1/20 0.54
TSHR P16473 1/20 0.52
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
ABCB1 P08183 1/20 0.47
LTA4H P09960 3/20 0.47
HRH3 Q9Y5N1 4/20 0.47
HTR2A P28223 2/20 0.47
HTR7 P34969 2/20 0.47
HTR6 P50406 2/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6920002 0.99 HRH1 (0.53) ESR1HRH1DRD1DRD4DRD5
SCHEMBL6926761 0.90 HTR1A (0.53) ESR1DRD1DRD3HTR1AHTR1D
SCHEMBL6925328 0.89 DRD1 (0.56) ESR1DRD1DRD4DRD5TSHR
SCHEMBL6927454 0.89 LTA4H (0.49) ESR1HRH1DRD1DRD4DRD5
SCHEMBL6920834 0.89 LMNA (0.52) ESR1HRH1DRD1DRD4DRD5
SCHEMBL6926720 0.87 KDM4E (0.45) ESR1DRD4DRD2HTR1AHTR1D
SCHEMBL6924579 0.86 ALDH1A1 (0.50) DRD3DRD2HTR1AHTR1DHTR1B
SCHEMBL6923678 0.84 PLA2G2A (0.50) DRD2HTR1AHTR1DHTR1BHTR6
SCHEMBL6923676 0.83 HTR1A (0.45) ESR1HRH1DRD1DRD4DRD5
SCHEMBL7505923 0.83 ACHE (0.51) HTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US claimed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP claimed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO claimed
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US disclosed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP disclosed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO disclosed