SCHEMBL4379350

SCHEMBL4379350

O=[N+]([O-])c1cc(N2CCN(C3CCCC3)CC2)ccc1N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.58
ALDH1A1 P00352 9/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
MAPK1 P28482 6/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 2/20 0.52
ALDH1A3 P47895 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP2C9 P11712 1/20 0.51
POLB P06746 1/20 0.48

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
SCHEMBL14377006 0.82 MAPK1 (0.71) MAPTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL29246344 0.81 ALDH1A1 (0.78) MAPTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL2892018 0.81 LMNA (0.70) MAPTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL3541096 0.80 ALDH1A1 (0.80) MAPTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL23536375 0.80 KMT2A (0.59) MAPTALDH1A1L3MBTL1MAPK1GAA
SCHEMBL29932132 0.80 KMT2A (0.59) MAPTALDH1A1L3MBTL1MAPK1GAA
SCHEMBL14335122 0.79 MAPT (0.58) MAPTALDH1A1L3MBTL1CYP2C19MAPK1
SCHEMBL14335232 0.79 MAPT (0.54) MAPTALDH1A1L3MBTL1MAPK1GAA
SCHEMBL14334301 0.79 ALDH1A1 (0.54) MAPTALDH1A1L3MBTL1MAPK1GAA
SCHEMBL14377179 0.79 HTT (0.58) MAPTALDH1A1L3MBTL1MAPK1GAA

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-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed