SCHEMBL3726892

SCHEMBL3726892

O=C(O)NCC1CC2(CCN(c3ccc4cc(F)ccc4n3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.48
P2RX7 Q99572 8/20 0.44
PDE10A Q9Y233 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
PDE2A O00408 2/20 0.40
HTR1A P08908 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL3723428 0.94 HRH3 (0.44) HRH3P2RX7PDE10AHDAC3HDAC2
SCHEMBL3722657 0.88 HRH3 (0.53) HRH3P2RX7PDE10AHTR1A
SCHEMBL3720879 0.84 HRH3 (0.47) HRH3PDE10AHDAC3HDAC2PDE2A
SCHEMBL12058096 0.80 HDAC3 (0.36) HRH3P2RX7PDE10AHDAC3HDAC2
SCHEMBL3726893 0.79 HRH3 (0.47) HRH3PDE10AHDAC3HDAC2PDE2A
SCHEMBL345345 0.78 HRH3 (0.50) HRH3PDE10AHDAC3HDAC2PDE2A
SCHEMBL3723104 0.75 GRIN2B (0.40) HTR1AFFAR4
SCHEMBL9994506 0.74 HRH3 (0.36) HRH3PDE10AHDAC3HDAC2PDE2A
SCHEMBL16174479 0.74 HRH3 (0.41) HRH3P2RX7PDE10AHDAC3HDAC2
SCHEMBL16174478 0.74 HRH3 (0.41) HRH3P2RX7PDE10AHDAC3HDAC2

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