SCHEMBL4455420

SCHEMBL4455420

CCN(CC)C(=O)c1ccc(OCCCN2C[C@H]3C[C@H]3C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.66
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
HRH2 P25021 5/20 0.47
HRH1 P35367 5/20 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
Hydrochloric Acid SCHEMBL3824771 0.99 HRH3 (0.65) HRH3NPC1ALDH1A1LMNAMAPT
SCHEMBL3826298 0.96 HRH3 (0.62) HRH3NPC1ALDH1A1LMNAMAPT
SCHEMBL2027296 0.93 HRH3 (0.69) HRH3NPC1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL1978511 0.92 HRH3 (0.68) HRH3NPC1ALDH1A1LMNAMAPT
SCHEMBL4620858 0.91 HRH3 (0.69) HRH3NPC1ALDH1A1LMNAMAPT
SCHEMBL2025810 0.89 HRH3 (0.65) HRH3NPC1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL1979708 0.88 HRH3 (0.64) HRH3NPC1ALDH1A1LMNAMAPT
SCHEMBL3824760 0.88 HRH3 (0.57) HRH3HRH2HRH1
Oxalic Acid SCHEMBL4506377 0.88 HRH3 (0.65) HRH3ALDH1A1LMNAMAPTOPRM1
SCHEMBL2026097 0.86 HRH3 (0.61) HRH3NPC1ALDH1A1LMNAMAPT

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-2133333-A1 New azabicyclic derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-12-16 EP disclosed