SCHEMBL3720879

SCHEMBL3720879

O=C(O)NC1CC2(CCN(c3ccc4cc(F)ccc4n3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
PDE10A Q9Y233 3/20 0.41
PDE2A O00408 2/20 0.41
HTR1A P08908 2/20 0.39
HPGDS O60760 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
TP53 P04637 2/20 0.38
DGAT1 O75907 2/20 0.37
MAPT P10636 1/20 0.37
PTGER4 P35408 1/20 0.37
ADORA2A P29274 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3729296 0.89 HRH3 (0.42) HRH3HDAC3HDAC2PDE10APDE2A
SCHEMBL3730691 0.87 HRH3 (0.53) HRH3PDE10AHTR1AHPGDSDGAT1
SCHEMBL3726892 0.84 HRH3 (0.48) HRH3HDAC3HDAC2PDE10APDE2A
SCHEMBL3726893 0.82 HRH3 (0.47) HRH3HDAC3HDAC2PDE10APDE2A
SCHEMBL23387218 0.81 MCHR1 (0.48) HRH3HDAC3HDAC2PDE10APDE2A
SCHEMBL23387220 0.81 MCHR1 (0.48) HRH3HDAC3HDAC2PDE10APDE2A
SCHEMBL3719971 0.79 DGAT1 (0.43) HDAC3HDAC2HTR1ADGAT1ADORA2A
SCHEMBL3723428 0.79 HRH3 (0.44) HRH3HDAC3HDAC2PDE10APDE2A
SCHEMBL15704534 0.78 HRH3 (0.37) HRH3HDAC3HDAC2PDE10APDE2A
SCHEMBL13259875 0.77 HRH3 (0.37) HRH3HDAC3HDAC2PDE10APDE2A

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