SCHEMBL4744047

SCHEMBL4744047

c1ccc(CNCCCCNCC2(CNCCCCNCc3ccccc3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.66
CHRM2 P08172 1/20 0.63
SIGMAR1 Q99720 4/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
NCOR2 Q9Y618 2/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MPO P05164 1/20 0.46
ACHE P22303 3/20 0.45
BCHE P06276 1/20 0.45

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
SCHEMBL4932707 0.82 MAOA (0.95) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL4642587 0.80 MAOA (1.00) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL7202099 0.80 MAOA (1.00) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL8851048 0.80 MAOA (1.00) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL16260102 0.80 MAOA (1.00) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL8644839 0.80 MAOA (1.00) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL29361832 0.80 MAOA (1.00) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL8024796 0.78 CHRM2 (0.91) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL8021930 0.78 CHRM2 (1.00) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL8021157 0.78 CHRM2 (1.00) MAOACHRM2SIGMAR1MEN1KMT2A

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-2008112251-A1 CYCLOPROPYL-CONTAINING POLYAMINE ANALOGS AS DISEASE THERAPIES PROGEN PHARMACEUTICALS, INC. (US) 2008-09-18 WO disclosed