SCHEMBL14895262

SCHEMBL14895262

O=C(CCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
MAPT P10636 5/20 0.63
POLB P06746 4/20 0.63
L3MBTL1 Q9Y468 3/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
RECQL P46063 1/20 0.56
CHRM1 P11229 1/20 0.55
SMN1; SMN2 Q16637 8/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 5/20 0.53
ALDH1A1 P00352 2/20 0.53
THRB P10828 1/20 0.53
ME2 P23368 1/20 0.53
ME1 P48163 1/20 0.53
ME3 Q16798 1/20 0.53
HTT P42858 4/20 0.52
IDE P14735 1/20 0.51

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
SCHEMBL14895264 0.85 MAPT (0.77) KDM4EMAPTPOLBL3MBTL1GAA
SCHEMBL14895091 0.83 ME2 (0.65) KDM4EMAPTPOLBL3MBTL1CHRM1
SCHEMBL14895164 0.82 SMN1; SMN2 (0.61) KDM4EMAPTPOLBL3MBTL1GAA
SCHEMBL14895214 0.77 MAPT (0.52) KDM4EMAPTPOLBL3MBTL1GAA
SCHEMBL2120780 0.77 SMN1; SMN2 (0.66) KDM4EMAPTPOLBL3MBTL1SMN1; SMN2
SCHEMBL17547308 0.77 SMN1; SMN2 (0.73) KDM4EMAPTPOLBL3MBTL1SMN1; SMN2
SCHEMBL26297007 0.76 SMN1; SMN2 (0.66) KDM4EMAPTPOLBL3MBTL1GAA
SCHEMBL26300161 0.76 SMN1; SMN2 (0.63) KDM4EMAPTPOLBL3MBTL1CHRM1
SCHEMBL207647 0.74 KDM4E (0.46) KDM4EMAPTPOLBL3MBTL1CHRM1
SCHEMBL26099910 0.74 SMN1; SMN2 (0.59) KDM4EMAPTPOLBL3MBTL1PKM

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
WO-2013060860-A1 N-ACYL-N'-PHENYLPIPERAZINE DERIVATIVES AS SRBP MODULATORS FOR USE IN THE TREATMENT OF DIABETES AND OBESITY NATIONAL UNIVERSITY OF IRELAND, MAYNOOTH (IE) 2013-05-02 WO disclosed
WO-2013060860-A1 N-ACYL-N'-PHENYLPIPERAZINE DERIVATIVES AS SRBP MODULATORS FOR USE IN THE TREATMENT OF DIABETES AND OBESITY NATIONAL UNIVERSITY OF IRELAND, MAYNOOTH (IE) 2013-05-02 WO disclosed