SCHEMBL8613872

SCHEMBL8613872

CCC(=O)Nc1cc(C2CCN(CCc3ccccc3)CC2)c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
OPRD1 P41143 2/20 0.47
OPRM1 P35372 5/20 0.47
SLC22A1 O15245 1/20 0.47
NR1I2 O75469 1/20 0.47
ABCB1 P08183 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
MAOA P21397 1/20 0.47
DRD4 P21917 1/20 0.47
MAOB P27338 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD3 P35462 1/20 0.47
OPRK1 P41145 1/20 0.47
CHRNA4 P43681 1/20 0.47

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
SCHEMBL8609905 0.86 HTR1F (0.51) SIGMAR1OPRD1OPRM1ADRA2BADRA2C
SCHEMBL8611280 0.83 OPRM1 (0.49) SIGMAR1OPRD1OPRM1OPRK1
SCHEMBL7778382 0.82 HTR1D (0.50) HTR2A
SCHEMBL8584939 0.79 HTR1D (0.37) DRD2DRD4DRD3KCNH2HTR2A
SCHEMBL8582998 0.79 DRD2 (0.52) SIGMAR1DRD2
SCHEMBL8586783 0.76 CHRM1 (0.48) SIGMAR1CHRM1DRD2
SCHEMBL8585332 0.75 SIGMAR1 (0.55) SIGMAR1DRD2DRD4DRD3KCNH2
Propionamide SCHEMBL29025290 0.75 SIGMAR1 (0.62) SIGMAR1OPRD1OPRM1SLC22A1NR1I2
SCHEMBL8584838 0.74 DRD2 (0.44) SIGMAR1DRD2DRD4DRD3
SCHEMBL7008169 0.74 HTR1F (0.74) HTR2A

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
WO-1998020875-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-05-22 WO disclosed