SCHEMBL4674034

SCHEMBL4674034

CC(C)(C)NC(=O)N1CCN([C@@H]2CC(c3c[nH]c4ccc(C#N)cc34)CC[N]2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.50
HTR1A P08908 2/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR6 P50406 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL7316005 0.87 SLC6A4 (0.48) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL4675431 0.86 SLC6A4 (0.52) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL4674039 0.84 SLC6A4 (0.50) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL4671510 0.84 SLC6A4 (0.60) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL8103893 0.82 SLC6A4 (0.72) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL4676504 0.75 SLC6A4 (0.52) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL4671600 0.75 SLC6A4 (0.49) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL16801495 0.71 KDM4E (0.65) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL8106283 0.70 ALDH1A1 (0.47) SLC6A4HTR1AHTR1B
SCHEMBL6383923 0.70 GPR119 (0.53) SLC6A4HTR1ADRD1SLC6A2HTR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed