SCHEMBL14619486

SCHEMBL14619486

Cc1ccc(CNCCCCNCCCNCc2ccc(F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.76
SCN8A Q9UQD0 1/20 0.55
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
LMNA P02545 3/20 0.54
KMT2A Q03164 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
ACHE P22303 3/20 0.51
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 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
SCHEMBL10045185 0.91 CHRM2 (0.92) CHRM2SCN8ALMNAL3MBTL1HDAC3
SCHEMBL10045186 0.89 CHRM2 (0.88) CHRM2SCN8ALMNAL3MBTL1HDAC3
SCHEMBL4913672 0.80 CHRM2 (0.79) CHRM2KMT2AHDAC3HDAC1HDAC2
SCHEMBL5032223 0.80 CHRM2 (0.79) CHRM2KMT2AHDAC3HDAC1HDAC2
SCHEMBL4917450 0.80 CHRM2 (0.79) CHRM2KMT2AHDAC3HDAC1HDAC2
SCHEMBL8019471 0.79 CHRM2 (0.82) CHRM2SCN8AL3MBTL1HDAC3HDAC1
SCHEMBL4919923 0.78 CHRM2 (0.75) CHRM2LMNAKMT2ACYP3A4CYP2D6
SCHEMBL8328507 0.78 CHRM2 (0.75) CHRM2SCN8ALMNAKMT2AL3MBTL1
SCHEMBL12414383 0.78 CHRM2 (0.75) CHRM2LMNAKMT2ACYP2D6CYP2C19
SCHEMBL19449778 0.78 CHRM2 (0.75) CHRM2DRD2DRD4DRD3LMNA

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
WO-2007021839-A2 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS JOHNS HOPKINS UNIVERSITY (US) 2007-02-22 WO disclosed