SCHEMBL5268403

SCHEMBL5268403

CC1CN(c2ccc(-c3ccccc3)cc2)CCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.52
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
MAPT P10636 2/20 0.44
USP2 O75604 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 3/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
CSNK1E P49674 1/20 0.44

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
SCHEMBL1005494 1.00 KHK (0.52) KHKADRA2AADRA2BADRA2CTLR9
SCHEMBL15378488 0.90 KHK (0.57) KHKADRA2AADRA2BADRA2CMAPT
SCHEMBL4246315 0.90 KHK (0.57) KHKADRA2AADRA2BADRA2CMAPT
SCHEMBL4246310 0.90 KHK (0.57) KHKADRA2AADRA2BADRA2CMAPT
Hydrochloric Acid SCHEMBL15819287 0.88 KHK (0.56) KHKADRA2AADRA2BADRA2CMAPT
SCHEMBL15579346 0.86 HTR7 (0.62) KHKMAPTUSP2ALDH1A1TP53
SCHEMBL2246734 0.85 CSNK1E (0.46) KHKADRA2AADRA2BADRA2CTLR9
SCHEMBL5272469 0.85 CSNK1E (0.46) KHKADRA2AADRA2BADRA2CTLR9
SCHEMBL2246868 0.85 TLR9 (0.44) KHKADRA2AADRA2BADRA2CTLR9
SCHEMBL5274527 0.83 ADRB1 (0.57) TLR9TLR8TLR7MAPTADRB1

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-1844032-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2007-10-17 EP disclosed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
WO-2006079653-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-08-03 WO disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed