SCHEMBL13636345

SCHEMBL13636345

C=C(/C=C/c1ccncc1)N1CCN(CCC)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 2/20 0.43
THRB P10828 4/20 0.39
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
GAA P10253 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL4383718 0.84 GPR183 (0.62) GPR183JUNNFKB1POLBALDH1A1
SCHEMBL14190907 0.84 GPR183 (0.62) GPR183JUNNFKB1POLBALDH1A1
SCHEMBL13636156 0.77 DRD2 (0.45) GPR183POLBL3MBTL1HRH3DRD3
SCHEMBL17131917 0.71 THRB (0.64) THRBPOLBALDH1A1SMN1; SMN2HRH2
SCHEMBL22110835 0.70 HPGD (0.48) GPR183POLBALDH1A1SMN1; SMN2TDP1
SCHEMBL4375908 0.69 NAMPT (0.59) GPR183JUNNFKB1POLBALDH1A1
SCHEMBL14190899 0.69 NAMPT (0.59) GPR183JUNNFKB1POLBALDH1A1
SCHEMBL14190905 0.69 GPR183 (0.67) GPR183POLBALDH1A1SMN1; SMN2TDP1
SCHEMBL4380512 0.69 GPR183 (0.67) GPR183POLBALDH1A1SMN1; SMN2TDP1
SCHEMBL13636191 0.68 ALDH1A1 (0.68) GPR183ALDH1A1SMN1; SMN2GAA

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-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed