SCHEMBL4292974

SCHEMBL4292974

NC(=O)c1ccc(OCCCN2CC3CC3C2)cc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.81
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52
PARP10 Q53GL7 6/20 0.51
MAOB P27338 1/20 0.49
PARP15 Q460N3 4/20 0.49
PARP2 Q9UGN5 2/20 0.49
ESRRB O95718 2/20 0.47
ESR1 P03372 2/20 0.47
ESRRG P62508 2/20 0.47
TBXAS1 P24557 1/20 0.47
KDM4E B2RXH2 2/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL3828655 1.00 HRH3 (0.81) HRH3HRH2HRH1PARP10MAOB
Hydrochloric Acid SCHEMBL3828271 0.99 HRH3 (0.79) HRH3HRH2HRH1PARP10MAOB
Oxalic Acid SCHEMBL3824009 0.96 HRH3 (0.75) HRH3HRH2HRH1PARP10MAOB
SCHEMBL3828820 0.96 HRH3 (0.74) HRH3HRH2HRH1PARP10MAOB
SCHEMBL3827146 0.93 HRH3 (0.70) HRH3HRH2HRH1PARP10PARP15
SCHEMBL1977578 0.92 HRH3 (0.90) HRH3HRH2HRH1PARP10MAOB
Hydrochloric Acid SCHEMBL1979057 0.90 HRH3 (0.88) HRH3HRH2HRH1PARP10MAOB
SCHEMBL14152811 0.89 HRH3 (1.00) HRH3HRH2HRH1PARP10MAOB
SCHEMBL14158615 0.89 HRH3 (1.00) HRH3HRH2HRH1PARP10MAOB
SCHEMBL14152810 0.89 HRH3 (1.00) HRH3HRH2HRH1PARP10MAOB

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
WO-2009150331-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD FOR SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-12-17 WO claimed