SCHEMBL3729563

SCHEMBL3729563

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
ABL1 P00519 1/20 0.53
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 1/20 0.51
HSD11B1 P28845 10/20 0.50
HPGD P15428 1/20 0.50
ADAM10 O14672 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP12 P39900 1/20 0.50
MMP14 P50281 1/20 0.50
ADAM17 P78536 1/20 0.50
ADAM9 Q13443 1/20 0.50
ADAM33 Q9BZ11 1/20 0.50

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
SCHEMBL2000948 0.84 KDM4E (0.65) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL3726669 0.83 FFAR4 (0.62) KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL3723652 0.82 AKR1C3 (0.45) HPGDADAM10MMP1MMP2MMP3
SCHEMBL3719971 0.81 DGAT1 (0.43) CYP2C9DGAT1
SCHEMBL5575433 0.80 TRPV1 (0.66) KDM4ELMNAABL1HSD11B1KMT2A
SCHEMBL3729566 0.78 RET (0.39) ABL1SMN1; SMN2HSD11B1HPGDKMT2A
SCHEMBL485221 0.78 SMN1; SMN2 (0.54) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL3723693 0.78 WNT3A (0.48) SMN1; SMN2HPGDKMT2AALDH1A1MEN1
SCHEMBL3722636 0.77 PANK3 (0.43) ABL1SMN1; SMN2HPGDALDH1A1CYP2C19
SCHEMBL3724434 0.77 FFAR4 (0.58) KDM4EMAPTSMN1; SMN2HPGDALDH1A1

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