SCHEMBL6990041

SCHEMBL6990041

CC(=O)NC1(C)CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
KDM4E B2RXH2 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD11B1 P28845 1/20 0.53
HSD11B2 P80365 1/20 0.53
LMNA P02545 4/20 0.53
ABL1 P00519 1/20 0.53
HPGD P15428 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.52
PANK3 Q9H999 1/20 0.52
HTT P42858 4/20 0.51
GAA P10253 1/20 0.51
ACACB O00763 2/20 0.51
CXCR3 P49682 1/20 0.49

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
SCHEMBL6990035 1.00 MAPT (0.63) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL6698881 0.85 MAPT (0.53) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL646250 0.80 TGM2 (0.52) MAPTKDM4ESMN1; SMN2ALDH1A1HSD11B1
SCHEMBL648751 0.78 KDM4E (0.54) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL31381207 0.77 KDM4E (0.57) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL18711414 0.77 SMN1; SMN2 (0.70) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL16769729 0.74 KDM4E (0.76) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL231236 0.74 MAPT (0.58) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL27771333 0.73 KDM4E (0.59) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL485221 0.73 SMN1; SMN2 (0.54) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP disclosed