SCHEMBL29778331

SCHEMBL29778331

CCCCOc1cc(CNCCCNCCCNC(=O)OC(C)(C)C)cc(CNCCCNCCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
S1PR2 O95136 2/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.41
TLR7 Q9NYK1 3/20 0.41
IL6 P05231 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SUCNR1 Q9BXA5 2/20 0.40
STK17B O94768 1/20 0.40

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
SCHEMBL16151785 0.90 MAOA (0.48) CA12CA1CA2CA9MAOA
SCHEMBL16151784 0.89 MAOA (0.49) CA12CA1CA2CA9MAOA
SCHEMBL20127870 0.89 MAOA (0.49) CA12CA1CA2CA9MAOA
SCHEMBL16152238 0.88 MAOA (0.52) CA12CA1CA2CA9MAOA
SCHEMBL16152237 0.86 MAOA (0.54) CA12CA1CA2CA9MAOA
SCHEMBL17125692 0.85 MAOA (0.46) CA12CA1CA2CA9MAOA
SCHEMBL16429198 0.84 CNR1 (0.46) CNR1CNR2S1PR2S1PR1S1PR3
SCHEMBL16151781 0.83 CYP3A4 (0.46) CA1CA2MAOAMAOBTDP1
SCHEMBL16152233 0.82 MAOA (0.50) CA12CA1CA2CA9MAOA
SCHEMBL16152225 0.82 MAOA (0.50) CA12CA1CA2CA9MAOA

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-2999345-B1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE CURZA GLOBAL LLC (US) 2022-08-10 EP disclosed