SCHEMBL7863482

SCHEMBL7863482

[O]c1ccccc1OCCN1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
TDP1 Q9NUW8 1/20 0.64
DRD1 P21728 4/20 0.60
HRH1 P35367 3/20 0.60
DRD3 P35462 3/20 0.60
DRD2 P14416 3/20 0.60
DRD4 P21917 2/20 0.60
DRD5 P21918 2/20 0.60
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
ABCB1 P08183 1/20 0.54

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
SCHEMBL7320462 0.81 TSHR (0.63) TSHRTDP1DRD1HRH1DRD3
SCHEMBL14970678 0.81 MEN1 (0.73) TSHRTDP1DRD1HRH1DRD3
SCHEMBL14970672 0.81 MEN1 (0.73) TSHRTDP1DRD1HRH1DRD3
SCHEMBL1027777 0.80 LTA4H (0.71) TSHRTDP1DRD1HRH1DRD3
SCHEMBL8351940 0.80 TDP1 (0.97) TSHRTDP1DRD1HRH1DRD3
SCHEMBL14970676 0.80 TSHR (1.00) TSHRTDP1DRD1HRH1DRD3
SCHEMBL9911421 0.80 TSHR (1.00) TSHRTDP1DRD1HRH1DRD3
SCHEMBL14970697 0.80 TDP1 (0.97) TSHRTDP1DRD1HRH1DRD3
SCHEMBL14397182 0.80 TSHR (0.67) TSHRTDP1DRD1HRH1DRD3
SCHEMBL14970683 0.80 L3MBTL1 (0.71) TSHRTDP1DRD1HRH1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986556-A4 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2001-03-21 EP disclosed
EP-0986556-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2000-03-22 EP disclosed
WO-1998045287-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1998-10-15 WO disclosed