SCHEMBL8570792

SCHEMBL8570792

CCCCN1CCC(O)(c2ccc(F)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.65
DRD3 P35462 7/20 0.62
HTR1A P08908 5/20 0.62
SLC6A2 P23975 5/20 0.62
HTR2A P28223 5/20 0.62
SLC6A4 P31645 5/20 0.62
HRH1 P35367 5/20 0.62
HTR2B P41595 5/20 0.62
DRD1 P21728 4/20 0.62
DRD5 P21918 4/20 0.62
HTR7 P34969 4/20 0.62
SIGMAR1 Q99720 4/20 0.60
SLC6A3 Q01959 3/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
ADRA2A P08913 2/20 0.58
CYP2D6 P10635 2/20 0.58
CHRM1 P11229 2/20 0.58
ADRA2B P18089 2/20 0.58

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
SCHEMBL8010420 0.91 DRD2 (0.72) DRD2DRD3HTR1ASLC6A2HTR2A
SCHEMBL7665773 0.85 DRD2 (0.65) DRD2DRD3HTR1ASLC6A2HTR2A
SCHEMBL11938907 0.85 DRD2 (0.65) DRD2DRD3HTR1ASLC6A2HTR2A
SCHEMBL11778752 0.84 SIGMAR1 (0.70) DRD2SIGMAR1LMNAOPRM1OPRK1
SCHEMBL8049113 0.84 DRD2 (0.56) DRD2DRD3HTR1ASLC6A2HTR2A
Hydrochloric Acid SCHEMBL7662807 0.84 DRD2 (0.64) DRD2DRD3HTR1ASLC6A2HTR2A
Hydrochloric Acid SCHEMBL7658319 0.84 DRD2 (0.64) DRD2DRD3HTR1ASLC6A2HTR2A
SCHEMBL8173291 0.81 DRD2 (0.60) DRD2DRD3HTR1ASLC6A2HTR2A
SCHEMBL20652864 0.80 DRD2 (0.79) DRD2DRD3HTR1ASLC6A2HTR2A
SCHEMBL904900 0.80 DRD2 (0.72) DRD2DRD3HTR1ASLC6A2HTR2A

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-5837707-A USEFUL IN TREATING ANXIETY, PSYCHOSIS, EPILEPSY, CONVULSIONS, AMNESIA, PARKINSON'S DISEASE H. LUNDBECK A/S (DK) 1998-11-17 US disclosed
US-5684012-A TREATMENT OF PSYCHOLOGICAL AND NEUROLOGICAL DISORDERS H. LUNDBECK A/S (DK) 1997-11-04 US disclosed