SCHEMBL7587753

SCHEMBL7587753

C=CCN(CC=C)C1CCc2ccc3c(c2C1)CC=N3

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.46
HTR1B P28222 5/20 0.43
HTR1A P08908 2/20 0.36
DRD3 P35462 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL7587763 0.73 HTR1D (0.49) HTR1DHTR1BHTR1A
SCHEMBL8676889 0.71 HTR1A (0.65) HTR1DHTR1BHTR1ADRD3
SCHEMBL9189284 0.71 HTR1D (0.46) HTR1DHTR1BHTR1ADRD3
SCHEMBL8632679 0.71 HTR1D (0.57) HTR1DHTR1BHTR1A
Hydrochloric Acid SCHEMBL7936160 0.70 HTR1A (0.64) HTR1DHTR1BHTR1ADRD3
SCHEMBL7371196 0.70 HTR1D (0.83) HTR1DHTR1B
SCHEMBL8672825 0.69 HTR1A (0.59) HTR1DHTR1BHTR1ADRD3
SCHEMBL8676875 0.69 CHRM2 (0.64) HTR1DHTR1BHTR1ADRD3
Hydrochloric Acid SCHEMBL7936577 0.68 CHRM2 (0.63) HTR1DHTR1BHTR1ADRD3
Hydrochloric Acid SCHEMBL7938715 0.68 HTR1A (0.58) HTR1DHTR1BHTR1ADRD3

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-1997041101-A1 ENANTIOMERS OF TRANS-BENZ[E]INDOLE COMPOUNDS, THEIR PREPARATION AND UTILITY AS DOPAMINE-D3 RECEPTOR SELECTIVE AGENTS NOVO NORDISK A/S (DK) 1997-11-06 WO disclosed