SCHEMBL256669

SCHEMBL256669

CCCCCN1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.58
HTR1A P08908 4/20 0.58
DRD3 P35462 4/20 0.58
HTR2A P28223 3/20 0.58
DRD1 P21728 2/20 0.58
DRD5 P21918 2/20 0.58
HTR7 P34969 1/20 0.55
SIGMAR1 Q99720 1/20 0.52
DRD4 P21917 1/20 0.50

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
SCHEMBL8571166 0.95 DRD2 (0.59) DRD2HTR1ADRD3HTR2ADRD1
SCHEMBL8011291 0.92 DRD2 (0.65) DRD2HTR1ADRD3HTR2ADRD1
SCHEMBL8001978 0.90 DRD2 (0.63) DRD2HTR1ADRD3HTR2ADRD1
SCHEMBL8207578 0.89 DRD2 (0.73) DRD2HTR1ADRD3HTR2ADRD1
SCHEMBL8001944 0.89 DRD2 (0.65) DRD2HTR1ADRD3HTR2ADRD1
SCHEMBL8012789 0.85 DRD2 (0.60) DRD2HTR1ADRD3HTR2ADRD1
SCHEMBL9970928 0.84 DRD2 (0.58) DRD2HTR1ADRD3DRD1DRD5
SCHEMBL256658 0.84 DRD2 (0.82) DRD2HTR1ADRD3HTR2ADRD1
SCHEMBL256656 0.84 DRD2 (0.78) DRD2HTR1ADRD3DRD1DRD5
SCHEMBL29048468 0.83 SIGMAR1 (0.68) DRD2HTR1ADRD3HTR2ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
US-5837707-A USEFUL IN TREATING ANXIETY, PSYCHOSIS, EPILEPSY, CONVULSIONS, AMNESIA, PARKINSON'S DISEASE H. LUNDBECK A/S (DK) 1998-11-17 US disclosed
US-5830896-A PSYCHOLOGICAL DISORDERS; ANTIEPILEPIC AGENTS; ALZHEIMER'SAND PARKINSON?S DISEASE H. LUNDBECK A/S (DK) 1998-11-03 US disclosed
US-5684012-A TREATMENT OF PSYCHOLOGICAL AND NEUROLOGICAL DISORDERS H. LUNDBECK A/S (DK) 1997-11-04 US disclosed