SCHEMBL7033807

SCHEMBL7033807

c1ccc(OCCCN2CCN(CCCOc3ccccc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.80
DRD2 P14416 2/20 0.80
HTR2A P28223 2/20 0.80
DRD3 P35462 2/20 0.80
TMEM97 Q5BJF2 2/20 0.80
SIGMAR1 Q99720 2/20 0.80
HRH1 P35367 1/20 0.80
HRH3 Q9Y5N1 2/20 0.72
KDM4E B2RXH2 1/20 0.72
ALDH1A1 P00352 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72

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
SCHEMBL19091219 0.93 RAB9A (0.79) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL492205 0.92 HRH3 (0.84) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL9349920 0.91 SIGMAR1 (0.69) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL9349929 0.91 SIGMAR1 (0.69) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL4084100 0.90 HRH3 (0.87) HRH1HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL2823877 0.90 HRH3 (0.87) HRH1HRH3KDM4EALDH1A1SMN1; SMN2
Bromide SCHEMBL23393414 0.89 HRH3 (0.84) HRH1HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL7381609 0.89 HRH1 (0.66) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL7006505 0.87 MAPK1 (0.73) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL22266171 0.87 NPC1 (0.72) ALDH1A1

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-0930529-B1 Heat-sensitive recording material FUJI PHOTO FILM CO LTD (JP) 2003-02-26 EP disclosed
US-6197725-B1 FOE DEVELOPING RED TO MAGENTA TO VIOLET, IMAGE STORABILITY AND IMAGE FIXING PROPERTY FUJI PHOTO FILM CO., LTD. (JP) 2001-03-06 US disclosed
EP-0930529-A1 Heat-sensitive recording material Fuji Photo Film., Ltd. (JP) 1999-07-21 EP disclosed