SCHEMBL8715170

SCHEMBL8715170

CCCCCN1CCC(c2coc3ccc(N(C(N)=O)c4cccc(C(=O)OC)c4)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.43
HTR2A P28223 14/20 0.43
DRD3 P35462 14/20 0.43
SLC6A4 P31645 1/20 0.43
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR4 Q13639 1/20 0.38

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
SCHEMBL8549267 0.82 DRD2 (0.46) DRD2HTR2ADRD3SLC6A4
SCHEMBL8708816 0.79 DRD2 (0.47) DRD2HTR2ADRD3SLC6A4
Hydrochloric Acid SCHEMBL8710593 0.75 CHRM4 (0.42) DRD2HTR2ADRD3SLC6A4
SCHEMBL8703223 0.74 DRD2 (0.46) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551530 0.73 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4
SCHEMBL8552921 0.73 DRD2 (0.49) DRD2HTR2ADRD3SLC6A4
SCHEMBL8548622 0.73 DRD2 (0.47) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551606 0.73 DRD2 (0.51) DRD2HTR2ADRD3SLC6A4
SCHEMBL8552841 0.72 KMT2A (0.47) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551604 0.72 UBE2M (0.49) DRD2HTR2ADRD3SLC6A4

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-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed