SCHEMBL27849574

SCHEMBL27849574

O=CC1CCN(C2CCC2)CCCN1c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 4/20 0.49
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 6/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A3 P47895 1/20 0.39
HTT P42858 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM1 P11229 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
SCHEMBL419126 0.77 L3MBTL1 (0.51) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL14377006 0.76 MAPK1 (0.71) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL27885531 0.72 MAPT (0.40) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL28009982 0.71 ALDH1A1 (0.45) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL23486528 0.67 ALDH1A1 (1.00) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL10298797 0.67 MAPK1 (0.51) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL3485682 0.66 MAPK1 (1.00) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL19174891 0.66 KDM4E (0.46) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL359075 0.65 MAPK1 (0.66) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL27382017 0.65 L3MBTL1 (0.48) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2

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
CN-102388043-A Histamine h3 inverse agonists and antagonists and methods of use thereof SEPRACOR INC 2012-03-21 CN disclosed