SCHEMBL3723693

SCHEMBL3723693

O=C(O)NC1CC2(CCN(c3ccc(-c4cccc(F)c4)cn3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.48
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC3 O15379 1/20 0.45
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DGAT1 O75907 5/20 0.43
USP2 O75604 2/20 0.41
DYRK1A Q13627 1/20 0.41
RET P07949 2/20 0.41
KCNH2 Q12809 4/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3719971 0.89 DGAT1 (0.43) HDAC2HDAC3CYP3A4DGAT1RET
SCHEMBL15653977 0.83 DGAT1 (0.40) CYP3A4DGAT1RETKCNH2CYP2C9
SCHEMBL15654738 0.79 FFAR4 (0.41) HDAC1HDAC2CYP3A4CYP2D6TSHR
SCHEMBL3722907 0.78 DGAT1 (0.40) HDAC2HDAC3DGAT1KCNH2GRIN2B
Hydrochloric Acid SCHEMBL3724404 0.78 FFAR4 (0.40) HDAC1HDAC2CYP3A4CYP2D6TSHR
SCHEMBL3723652 0.78 AKR1C3 (0.45) HDAC1CYP3A4CYP2D6TSHRALDH1A1
Hydrochloric Acid SCHEMBL3724408 0.78 FFAR4 (0.40) HDAC1CYP3A4CYP2D6TSHRALDH1A1
SCHEMBL3729563 0.78 KDM4E (0.53) ALDH1A1SMN1; SMN2HPGDDGAT1CYP2C9
SCHEMBL3720879 0.76 HRH3 (0.47) HDAC2HDAC3DGAT1KCNH2ADORA2A
SCHEMBL1729788 0.74 TDO2 (0.53) DGAT1RETKCNH2GRIN2BADORA2A

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 4 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 claimed
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