SCHEMBL13636226

SCHEMBL13636226

CC(O)c1cccc(CCC(=O)N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ME2 P23368 1/20 0.50
ME1 P48163 1/20 0.50
ME3 Q16798 1/20 0.50
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
GFER P55789 1/20 0.49
CHRM1 P11229 1/20 0.48
ROCK2 O75116 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.45
AOC3 Q16853 2/20 0.43
F10 P00742 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MC4R P32245 1/20 0.42

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
SCHEMBL4378642 0.81 L3MBTL1 (0.57) ME2ME1ME3MAPTKMT2A
SCHEMBL13636195 0.79 ROCK2 (0.54) ME2ME1ME3MAPTKMT2A
SCHEMBL4380598 0.78 ME2 (0.57) ME2ME1ME3MAPTKMT2A
SCHEMBL13636497 0.77 NPC1 (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13636198 0.77 ALDH1A1 (0.56) KMT2ACHRM1ALDH1A1SMN1; SMN2
SCHEMBL4375437 0.76 KMT2A (0.72) KMT2AMEN1GFERALDH1A1SMN1; SMN2
SCHEMBL4375389 0.74 FKBP1A (0.65) ME2ME1ME3MAPTKMT2A
SCHEMBL4379381 0.73 TRPV1 (0.57) MAPTKMT2AMEN1GFERCHRM1
SCHEMBL4377690 0.73 KMT2A (0.72) KMT2AMEN1GFERALDH1A1L3MBTL1
SCHEMBL13801421 0.73 MAPT (0.58) MAPTKMT2AMEN1CHRM1SMN1; 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
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed