SCHEMBL2027296

SCHEMBL2027296

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

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.69
HRH2 P25021 5/20 0.50
HRH1 P35367 5/20 0.50
OPRM1 P35372 2/20 0.50
OPRD1 P41143 2/20 0.50
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
MAOB P27338 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
Hydrochloric Acid SCHEMBL1978511 0.99 HRH3 (0.68) HRH3HRH2HRH1OPRM1OPRD1
SCHEMBL2025810 0.96 HRH3 (0.65) HRH3HRH2HRH1OPRM1OPRD1
SCHEMBL4620858 0.95 HRH3 (0.69) HRH3HRH2HRH1OPRM1OPRD1
Hydrochloric Acid SCHEMBL1979708 0.95 HRH3 (0.64) HRH3HRH2HRH1OPRM1OPRD1
SCHEMBL2026097 0.94 HRH3 (0.61) HRH3HRH2HRH1OPRM1OPRD1
SCHEMBL4455420 0.93 HRH3 (0.66) HRH3HRH2HRH1OPRM1OPRD1
Hydrochloric Acid SCHEMBL1980035 0.93 HRH3 (0.60) HRH3HRH2HRH1OPRM1OPRD1
Oxalic Acid SCHEMBL4506377 0.92 HRH3 (0.65) HRH3HRH2HRH1OPRM1OPRD1
Hydrochloric Acid SCHEMBL3824771 0.92 HRH3 (0.65) HRH3HRH2HRH1OPRM1OPRD1
SCHEMBL3826298 0.89 HRH3 (0.62) HRH3OPRM1OPRD1NPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332910-B1 New derivatives of azabicyclo[3.2.0]hept-3-yl, method for preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2013-01-30 EP disclosed
EP-2332910-A1 New derivatives of azabicyclo[3.2.0]hept-3-yl, method for preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2011-06-15 EP disclosed