SCHEMBL9757260

SCHEMBL9757260

Fc1ccc(N2CCN(CCCCBr)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.61
HTR1A P08908 9/20 0.61
DRD3 P35462 8/20 0.61
HTR2A P28223 7/20 0.61
TMEM97 Q5BJF2 4/20 0.61
SIGMAR1 Q99720 4/20 0.61
DRD1 P21728 3/20 0.61
DRD5 P21918 3/20 0.61
HRH1 P35367 3/20 0.56
DRD4 P21917 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

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
Bromide SCHEMBL9230634 0.93 DRD2 (0.57) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL8011318 0.91 DRD2 (0.69) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL3197906 0.83 CYP2D6 (0.63) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL9757322 0.83 HTR1A (0.61) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL13875126 0.83 KDM4E (0.69) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL2097950 0.83 DRD2 (0.61) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL16666842 0.83 KDM4E (0.69) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL2090615 0.82 DRD2 (0.59) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL2095204 0.81 DRD2 (0.58) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL7653085 0.81 CYP2D6 (0.70) DRD2HTR1ADRD3HTR2ATMEM97

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