SCHEMBL9757322

SCHEMBL9757322

OCCCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.61
DRD2 P14416 8/20 0.61
HTR2A P28223 6/20 0.61
DRD3 P35462 6/20 0.61
TMEM97 Q5BJF2 3/20 0.61
SIGMAR1 Q99720 3/20 0.61
DRD1 P21728 3/20 0.61
DRD5 P21918 3/20 0.61
DRD4 P21917 3/20 0.58
HRH1 P35367 3/20 0.56
HTR2C P28335 2/20 0.56
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
KCNH2 Q12809 1/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
RXFP1 Q9HBX9 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
SCHEMBL8334022 0.95 DRD2 (0.58) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL8011318 0.91 DRD2 (0.69) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL10365486 0.88 HTR1A (0.57) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL11402886 0.83 KDM4E (0.69) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL2097950 0.83 DRD2 (0.61) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL9757260 0.83 DRD2 (0.61) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL3197906 0.83 CYP2D6 (0.63) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL13875126 0.83 KDM4E (0.69) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL27360459 0.83 DRD2 (0.60) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL7386768 0.83 KCNH2 (0.79) HTR1ADRD2HTR2ADRD3TMEM97

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-5036075-A Serotonin antagonists RHONE-POULENC SANTE (FR) 1991-07-30 US disclosed
US-5021420-A Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders RHONE-POULENC SANTE (FR) 1991-06-04 US disclosed