SCHEMBL8568581

SCHEMBL8568581

NNC(=O)CCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.63
OPRK1 P41145 9/20 0.62
DRD2 P14416 9/20 0.62
HTR1A P08908 8/20 0.62
DRD4 P21917 8/20 0.62
HTR2A P28223 8/20 0.62
HTR2C P28335 8/20 0.62
HTR7 P34969 8/20 0.62
HTR1D P28221 7/20 0.62
DRD3 P35462 7/20 0.62
HTR2B P41595 7/20 0.62
OPRD1 P41143 7/20 0.62
HRH2 P25021 6/20 0.62
DRD1 P21728 6/20 0.62
DRD5 P21918 6/20 0.62
SLC6A2 P23975 6/20 0.62
SLC6A4 P31645 6/20 0.62
HTR6 P50406 6/20 0.62
SLC6A3 Q01959 6/20 0.62
HRH1 P35367 5/20 0.61

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
SCHEMBL7963905 0.86 DRD2 (0.59) OPRM1DRD2HTR1ADRD4HTR2A
SCHEMBL14282239 0.86 OPRM1 (0.76) OPRM1OPRK1DRD2HTR1ADRD4
SCHEMBL8568579 0.84 OPRM1 (0.58) OPRM1OPRK1DRD2HTR1ADRD4
SCHEMBL7949044 0.84 DRD2 (0.59) OPRM1DRD2HTR1ADRD4HTR2A
Seperidol SCHEMBL124937 0.82 DRD2 (0.80) OPRM1OPRK1DRD2HTR1ADRD4
SCHEMBL7959913 0.82 DRD2 (0.52) OPRM1DRD2OPRL1CCR1
SCHEMBL7960076 0.81 DRD2 (0.70) OPRM1DRD2HTR1ADRD4HTR2A
Seperidol SCHEMBL124936 0.81 DRD2 (0.78) OPRM1OPRK1DRD2HTR1ADRD4
SCHEMBL11609688 0.80 DRD2 (0.61) OPRM1OPRK1DRD2HTR1ADRD4
SCHEMBL11850236 0.80 DRD2 (0.61) OPRM1OPRK1DRD2HTR1ADRD4

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
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed