SCHEMBL14502917

SCHEMBL14502917

OC(c1ccc(F)cc1)[C@@H]1CCC2CN(c3ncccn3)CCN2C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.57
DRD2 P14416 12/20 0.57
HTR1A P08908 2/20 0.47
HTR2A P28223 1/20 0.47
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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
SCHEMBL5414076 1.00 DRD4 (0.57) DRD4DRD2HTR1AHTR2ASLC6A2
SCHEMBL14532757 1.00 DRD4 (0.57) DRD4DRD2HTR1AHTR2ASLC6A2
SCHEMBL14532761 0.81 DRD2 (0.66) DRD4DRD2HTR1AHTR2A
SCHEMBL5406963 0.81 DRD2 (0.66) DRD4DRD2HTR1AHTR2A
SCHEMBL14533031 0.76 DRD4 (0.58) DRD4DRD2HTR1AHTR2AL3MBTL1
SCHEMBL5410741 0.76 DRD4 (0.58) DRD4DRD2HTR1AHTR2AL3MBTL1
SCHEMBL14502920 0.76 DRD4 (0.58) DRD4DRD2HTR1AHTR2AL3MBTL1
SCHEMBL14502919 0.75 DRD4 (0.48) DRD4DRD2HTR1AHTR2ASLC6A2
SCHEMBL14532759 0.75 DRD4 (0.48) DRD4DRD2HTR1AHTR2ASLC6A2
SCHEMBL8642030 0.74 HTR2A (0.45) DRD4DRD2HTR2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220753-B2 2,7-substituted octahydro-1H-pyrido[1,2-a]pyrazine derivatives as ligands for serotonin receptors PFIZER INC. (US) 2007-05-22 US disclosed