SCHEMBL13636241

SCHEMBL13636241

CCC(CC)N1CCN(C(=O)OCCCOc2ccc(C)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.55
HRH2 P25021 10/20 0.50
HRH1 P35367 10/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4388605 0.89 HRH3 (0.69) HRH3HRH2HRH1GAAMAPT
Hydrochloric Acid SCHEMBL4388603 0.88 HRH3 (0.71) HRH3HRH2HRH1GAAMAPT
SCHEMBL13636025 0.88 HRH2 (0.50) HRH3HRH2HRH1GAAMAPT
SCHEMBL4378509 0.83 HRH3 (0.71) HRH3HRH2HRH1GAAMAPT
SCHEMBL4387240 0.83 HRH3 (0.53) HRH3HRH2HRH1MAPTALDH1A1
Hydrochloric Acid SCHEMBL4387237 0.82 HRH3 (0.54) HRH3HRH2HRH1MAPTALDH1A1
Hydrochloric Acid SCHEMBL4378506 0.82 HRH3 (0.73) HRH3HRH2HRH1GAAMAPT
SCHEMBL4389352 0.80 HRH3 (0.52) HRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL4389348 0.79 HRH3 (0.54) HRH3SMN1; SMN2
SCHEMBL4386252 0.77 HRH3 (0.54) HRH3HRH2HRH1MAPTALDH1A1

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