SCHEMBL7464145

SCHEMBL7464145

CN(N)C(=O)c1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.49
SLC6A2 P23975 6/20 0.45
SLC6A3 Q01959 6/20 0.45
HTR1A P08908 1/20 0.45
DRD1 P21728 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR6 P50406 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
SCHEMBL6879221 0.82 PBRM1 (0.54) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL3631475 0.82 ALDH1A1 (0.54) SLC6A4HTR1AHTR6
SCHEMBL1434181 0.82 F7 (0.58) SLC6A4HTR6
SCHEMBL7461245 0.80 F7 (0.65)
SCHEMBL7461024 0.80 KDM4E (0.55) SLC6A4HTR2A
SCHEMBL9937045 0.79 NR4A2 (0.65) SLC6A4
SCHEMBL26054532 0.79 L3MBTL1 (0.48) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL12782163 0.77 F7 (0.45) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL8808423 0.77 LMNA (0.62) SLC6A4HTR1AHTR6
SCHEMBL7386532 0.77 IDO1 (0.43) SLC6A4HTR6

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-1183252-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-03-06 EP disclosed
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 WO disclosed