SCHEMBL3690780

SCHEMBL3690780

CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3cccc(F)c3NC(=O)NCC3(O)CC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CCR5 P51681 1/20 0.40
ACKR3 P25106 4/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 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
SCHEMBL3767309 0.87 KDM4E (0.46) KDM4EALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL1018522 0.86 MEN1 (0.42) KDM4EALDH1A1SMN1; SMN2TSHRACKR3
SCHEMBL3647459 0.83 KDM4E (0.43) KDM4EALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL3693257 0.82 KDM4E (0.47) KDM4EALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL1023294 0.82 MEN1 (0.40) KDM4EALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL3762052 0.82 ACKR3 (0.46) KDM4EALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL1020212 0.77 TP53 (0.46) KDM4EALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL1018852 0.77 MEN1 (0.42) KDM4EALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL1019852 0.76 ALDH1A1 (0.52) KDM4EALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL1020125 0.76 ALDH1A1 (0.49) KDM4EALDH1A1HTTSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190827-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. Organon (NL) 2010-06-02 EP disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 WO disclosed