SCHEMBL8550183

SCHEMBL8550183

CC(C)N1CCC(c2coc3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
DRD2 P14416 3/20 0.45
HTR2A P28223 3/20 0.45
DRD3 P35462 3/20 0.45
TRPV1 Q8NER1 4/20 0.45
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CCR2 P41597 1/20 0.42
MAOB P27338 1/20 0.42
HTR1F P30939 3/20 0.42
HTR1A P08908 2/20 0.42
MCHR1 Q99705 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.41
HTR1D P28221 1/20 0.41

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
SCHEMBL7483679 0.83 HTR1D (0.62) DRD2CCR2HTR1FHTR1AHTR1D
SCHEMBL8551434 0.83 EPHX2 (0.48) EPHX2TRPV1HRH3NPC1RAB9A
SCHEMBL8704542 0.77 ALDH1A1 (0.53) EPHX2DRD2HTR2ADRD3NPC1
SCHEMBL8551986 0.77 HTR1F (0.68) DRD2HTR2ADRD3HTR1FHTR1A
SCHEMBL8546763 0.76 HTR1D (0.45) DRD2HTR2ADRD3HTR1DHTR1B
SCHEMBL8551958 0.75 DRD2 (0.57) DRD2HTR2ADRD3HTR1DHTR1B
SCHEMBL8548237 0.74 MAPT (0.53) DRD2HTR2ADRD3NPC1RAB9A
SCHEMBL8548755 0.74 CA2 (0.43) EPHX2DRD2HTR2ADRD3MEN1
SCHEMBL8548758 0.73 DRD2 (0.40) DRD2HTR2ADRD3
SCHEMBL8549413 0.72 ALDH1A1 (0.40) EPHX2DRD2HTR2ADRD3MEN1

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
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed