SCHEMBL5801431

SCHEMBL5801431

c1ccc(C2CCNCC2)c(OCC2CCCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.61
SLC6A4 P31645 11/20 0.61
HTR1A P08908 10/20 0.61
SLC6A3 Q01959 9/20 0.61
HTR2C P28335 6/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.50
IKBKB O14920 1/20 0.45

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
SCHEMBL23228614 0.92 SLC6A2 (0.66) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL11127696 0.89 PTGDR2 (0.60) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL5780734 0.86 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3HTR2CIKBKB
SCHEMBL19240459 0.86 SLC6A2 (0.51) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL23228660 0.86 SLC6A2 (0.58) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
Hydrochloric Acid SCHEMBL19205459 0.85 SLC6A2 (0.50) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
Hydrochloric Acid SCHEMBL19205314 0.85 SLC6A2 (0.50) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL19205318 0.84 SLC6A2 (0.52) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL23228750 0.84 SLC6A2 (0.59) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL19205356 0.84 SLC6A2 (0.52) SLC6A2SLC6A4HTR1ASLC6A3HTR2C

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-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed