SCHEMBL30744005

SCHEMBL30744005

Nc1ccc(Oc2ccccc2)c(OC2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.49
HTR6 P50406 1/20 0.49
PDE4A P27815 4/20 0.47
HTR1A P08908 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MAOB P27338 1/20 0.42
MAOA P21397 1/20 0.42
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH1 P35367 1/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CSNK2A1 P68400 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL21295384 1.00 SLC6A4 (0.49) SLC6A4HTR6PDE4AHTR1ASLC6A2
SCHEMBL21295363 0.82 NTRK1 (0.58) SLC6A4HTR6PDE4AHTR1ASLC6A2
SCHEMBL30743989 0.82 NTRK1 (0.58) SLC6A4HTR6PDE4AHTR1ASLC6A2
SCHEMBL19990170 0.78 MAOA (0.56) MAOBMAOANCOA1NCOA3CYP1A2
SCHEMBL987135 0.78 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL20021949 0.77 HRH1 (0.50) PDE4ANCOA1NCOA3HRH1PDE4B
SCHEMBL5704547 0.76 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL17865580 0.76 MEN1 (0.59) SLC6A4SLC6A2SLC6A3MAOBMAOA
SCHEMBL21295533 0.76 CYP19A1 (0.53) SLC6A4HTR6SLC6A2SLC6A3CYP1A2
SCHEMBL21305416 0.76 PDE4D (0.52) SLC6A4HTR6PDE4APDE4BPDE4C

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
CN-111819172-B Triazine derivatives for the treatment of neurotrophin related diseases 阿泽克制药公司 2024-02-06 CN disclosed