SCHEMBL2023640

SCHEMBL2023640

CN(C)C(=O)c1ccc(OCCCCN2C[C@H]3CC[C@H]3C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.59
GPR119 Q8TDV5 8/20 0.53
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TBXAS1 P24557 1/20 0.49
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48

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 SCHEMBL1979118 0.99 HRH3 (0.58) HRH3GPR119KDM4EALDH1A1HTT
SCHEMBL1978514 0.96 HRH3 (0.64) HRH3GPR119TBXAS1HRH2HRH1
Hydrochloric Acid SCHEMBL1977490 0.95 HRH3 (0.62) HRH3GPR119TBXAS1HRH2HRH1
SCHEMBL4465038 0.93 HRH3 (0.53) HRH3GPR119KDM4EALDH1A1HTT
SCHEMBL4493848 0.91 HRH3 (0.68) HRH3GPR119KDM4ETBXAS1HRH2
SCHEMBL4489369 0.91 HRH3 (0.72) HRH3GPR119KDM4ETBXAS1HRH2
Oxalic Acid SCHEMBL3824753 0.89 KDM4E (0.55) HRH3GPR119KDM4EALDH1A1HTT
SCHEMBL3824760 0.89 HRH3 (0.57) HRH3GPR119KDM4ETBXAS1HRH2
Oxalic Acid SCHEMBL4485952 0.88 HRH3 (0.67) HRH3GPR119KDM4EALDH1A1HTT
SCHEMBL2025810 0.88 HRH3 (0.65) HRH3KDM4EALDH1A1HTTMEN1

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