Sugi Predict

Sugi Predict / Compounds / SCHEMBL13636370

SCHEMBL13636370

SCHEMBL13636370

C=CCN1CCN(C(=O)/C=C/c2cc(Br)ccc2O)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 14/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PELI1 Q96FA3 2/20 0.45
▸ HSP90AA1 P07900 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4384367 0.82 GPR183 (0.48) GPR183SMN1; SMN2
SCHEMBL14190947 0.82 GPR183 (0.48) GPR183SMN1; SMN2
SCHEMBL13636495 0.75 ACHE (0.45) GPR183SMN1; SMN2PELI1MAPT
SCHEMBL13090259 0.73 PELI1 (0.52) GPR183SMN1; SMN2PELI1MAPT
SCHEMBL31238165 0.73 ERN1 (0.60) HSP90AA1MAPTMAPK1NPSR1
SCHEMBL4378517 0.72 NPC1 (0.64) GPR183SMN1; SMN2MAPTMAPK1
SCHEMBL13636477 0.72 NPC1 (0.64) GPR183SMN1; SMN2MAPTMAPK1
SCHEMBL13636009 0.71 SMN1; SMN2 (0.59) SMN1; SMN2MAPTMAPK1
SCHEMBL4380888 0.71 JUN (0.57) SMN1; SMN2MAPT
SCHEMBL4377280 0.71 SMN1; SMN2 (0.59) SMN1; SMN2MAPTMAPK1

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