SCHEMBL3729296

SCHEMBL3729296

O=C(O)NC1CC2(C1)CN(c1ccc3cc(F)ccc3n1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
PDE10A Q9Y233 3/20 0.40
HDAC3 O15379 3/20 0.40
HDAC2 Q92769 3/20 0.40
PDE2A O00408 2/20 0.40
ATM Q13315 1/20 0.36
HTR1A P08908 2/20 0.36
RXFP1 Q9HBX9 2/20 0.35
TP53 P04637 1/20 0.35
ROCK2 O75116 2/20 0.34
CYP3A4 P08684 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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 0.89 HRH3 (0.47) HRH3PDE10AHDAC3HDAC2PDE2A
SCHEMBL23387220 0.81 MCHR1 (0.48) HRH3PDE10AHDAC3HDAC2PDE2A
SCHEMBL23387218 0.81 MCHR1 (0.48) HRH3PDE10AHDAC3HDAC2PDE2A
SCHEMBL15654480 0.79 ENPP2 (0.39) HRH3PDE10APDE2AHTR1AENPP2
SCHEMBL3477140 0.79 HDAC3 (0.47) HRH3PDE10AHDAC3HDAC2PDE2A
SCHEMBL3722907 0.78 DGAT1 (0.40) HDAC3HDAC2HTR1A
SCHEMBL3730691 0.78 HRH3 (0.53) HRH3PDE10AHTR1A
SCHEMBL9993048 0.77 MEN1 (0.41) HRH3PDE10AROCK2ENPP2ATXN2
SCHEMBL3723428 0.76 HRH3 (0.44) HRH3PDE10AHDAC3HDAC2PDE2A
SCHEMBL9994849 0.75 MEN1 (0.40) PDE10APDE2AENPP2ATXN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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