SCHEMBL3726893

SCHEMBL3726893

CN(C(=O)O)C1CC2(CCN(c3ccc4cc(F)ccc4n3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
PDE10A Q9Y233 3/20 0.41
PDE2A O00408 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
RXFP1 Q9HBX9 2/20 0.39
TP53 P04637 1/20 0.39
HTR1A P08908 2/20 0.38
DGAT1 O75907 2/20 0.36
HTR3A P46098 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MCHR1 Q99705 1/20 0.35
LMNA P02545 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL3720879 0.82 HRH3 (0.47) HRH3PDE10APDE2AHDAC3HDAC2
SCHEMBL3726892 0.79 HRH3 (0.48) HRH3PDE10APDE2AHDAC3HDAC2
SCHEMBL9993584 0.79 HRH3 (0.39) HRH3PDE10APDE2AHDAC3HDAC2
SCHEMBL9994494 0.78 HRH3 (0.38) HRH3PDE10APDE2AHDAC3HDAC2
SCHEMBL9993380 0.78 PDE10A (0.40) HRH3PDE10APDE2AHDAC3HDAC2
SCHEMBL9993633 0.77 HRH3 (0.37) HRH3PDE10APDE2AHDAC3HDAC2
SCHEMBL9994794 0.76 HRH3 (0.49) HRH3PDE10AHTR1ADGAT1HTR3A
SCHEMBL345346 0.75 HRH3 (0.47) HRH3PDE10APDE2AHDAC3HDAC2
SCHEMBL3723106 0.74 MCHR1 (0.40) HTR1ADGAT1MCHR1CYP3A4CYP2C9
SCHEMBL9992776 0.74 PDE10A (0.40) HRH3PDE10APDE2AHDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393809-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-14 EP claimed
WO-2010089510-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-12 WO claimed
EP-2393809-B1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP disclosed
EP-2393809-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-14 EP disclosed
WO-2010089510-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-12 WO disclosed