SCHEMBL1077401

SCHEMBL1077401

CCC(Oc1ccc2c(c1)CNCC2c1ccc(OC)cc1)C1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.43
HRH3 Q9Y5N1 8/20 0.43
HTR2C P28335 2/20 0.35
EED O75530 1/20 0.35
MAOA P21397 1/20 0.34
SLC6A2 P23975 2/20 0.34
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL6715276 0.77 SLC6A4 (0.53) SLC6A4HRH3HTR2CSLC6A2HTR2B
SCHEMBL1077402 0.76 SLC6A4 (0.49) SLC6A4HRH3EED
SCHEMBL1036117 0.75 SLC6A4 (0.54) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4462917 0.71 SLC6A2 (0.35) SLC6A4SLC6A2SLC6A3
SCHEMBL29356733 0.70 MEN1 (0.60) SLC6A4HRH3HTR2CSLC6A2SLC6A3
SCHEMBL11639387 0.70 MEN1 (0.60) SLC6A4HRH3HTR2CSLC6A2SLC6A3
SCHEMBL1037048 0.70 SLC6A4 (0.54) SLC6A4HRH3
Hydrochloric Acid SCHEMBL11798762 0.70 SLC6A4 (0.53) SLC6A4HRH3HTR2CSLC6A2SLC6A3
SCHEMBL11715785 0.69 NR4A1 (0.36) SLC6A4HTR2CEEDSLC6A2HTR2B
SCHEMBL1037518 0.69 SLC6A4 (0.53) SLC6A4HRH3SLC6A2SLC6A3

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-1831173-B1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2011-01-26 EP disclosed