SCHEMBL6920002

SCHEMBL6920002

c1ccc(Cn2c3ccccc3c3c(OCCN4CCCC4)cccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.53
DRD1 P21728 3/20 0.53
DRD4 P21917 3/20 0.53
DRD5 P21918 3/20 0.53
DRD3 P35462 3/20 0.53
ESR1 P03372 2/20 0.53
DRD2 P14416 2/20 0.52
TSHR P16473 1/20 0.50
HTR1A P08908 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
LTA4H P09960 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP19A1 P11511 1/20 0.47
ABCB1 P08183 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
SCHEMBL6926928 0.99 ESR1 (0.54) HRH1DRD1DRD4DRD5DRD3
SCHEMBL6926761 0.91 HTR1A (0.53) DRD1DRD3ESR1HTR1AHTR1D
SCHEMBL6925328 0.90 DRD1 (0.56) DRD1DRD4DRD5ESR1TSHR
SCHEMBL6927454 0.90 LTA4H (0.49) HRH1DRD1DRD4DRD5DRD3
SCHEMBL6920834 0.90 LMNA (0.52) HRH1DRD1DRD4DRD5DRD3
SCHEMBL6926720 0.88 KDM4E (0.45) DRD4ESR1DRD2HTR1AHTR1D
SCHEMBL6924579 0.87 ALDH1A1 (0.50) DRD3DRD2HTR1AHTR1DHTR1B
SCHEMBL6923678 0.85 PLA2G2A (0.50) DRD2HTR1AHTR1DHTR1BTDP1
SCHEMBL6923676 0.84 HTR1A (0.45) HRH1DRD1DRD4DRD5DRD3
SCHEMBL7505923 0.84 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 2 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
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