SCHEMBL14614604

SCHEMBL14614604

N[C@H]1CCc2cc(N3CCOCC3)c(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.46
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
AKR1C3 P42330 1/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
LGMN Q99538 1/20 0.35

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
SCHEMBL14614586 1.00 MAPT (0.48) MAPTSMN1; SMN2GAAMAPK1ALDH3A1
SCHEMBL12891873 0.83 MAPK1 (0.46) MAPTSMN1; SMN2GAAMAPK1ALDH3A1
SCHEMBL12891874 0.83 MAPK1 (0.46) MAPTSMN1; SMN2GAAMAPK1ALDH3A1
SCHEMBL12993075 0.83 MAPK1 (0.46) MAPTSMN1; SMN2GAAMAPK1ALDH3A1
SCHEMBL1240477 0.83 ALDH1A1 (0.42) MAPTSMN1; SMN2GAAMAPK1KDM4E
SCHEMBL11575622 0.74 HTR2A (0.43) CYP2D6
SCHEMBL1240327 0.74 LGMN (0.46) MAPTSMN1; SMN2KDM4ETSHRALDH1A1
SCHEMBL30458638 0.70 MAPT (0.66) MAPTSMN1; SMN2GAAMAPK1ALDH3A1
SCHEMBL17651382 0.70 MAPT (0.66) MAPTSMN1; SMN2GAAMAPK1ALDH3A1
SCHEMBL8264098 0.69 MAPK1 (0.53) MAPTSMN1; SMN2GAAMAPK1ALDH3A1

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-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed