SCHEMBL28035248

SCHEMBL28035248

C[As](C)CCc1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.64
SLC6A3 Q01959 1/20 0.49
HTR1A P08908 3/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL12881233 0.84 SLC6A4 (0.68) SLC6A4SLC6A3HTR1ADRD2DRD4
SCHEMBL3103741 0.81 SLC6A4 (0.73) SLC6A4HTR1A
SCHEMBL8136598 0.81 SLC6A4 (0.64) SLC6A4SLC6A3DRD2DRD4DRD3
SCHEMBL27402888 0.81 SLC6A4 (0.64) SLC6A4SLC6A3DRD2DRD4DRD3
SCHEMBL2531600 0.81 SLC6A4 (0.64) SLC6A4HTR1ADRD3
SCHEMBL25244606 0.81 SLC6A4 (0.64) SLC6A4SLC6A3DRD2DRD4DRD3
SCHEMBL6108317 0.81 SLC6A4 (0.64) SLC6A4DRD2DRD4DRD3
SCHEMBL13226846 0.80 SLC6A4 (0.63) SLC6A4SLC6A3DRD2DRD4DRD3
SCHEMBL14021917 0.80 SLC6A4 (0.64) SLC6A4SLC6A3HTR1ADRD2DRD4
SCHEMBL28760608 0.80 SLC6A4 (0.64) SLC6A4SLC6A3HTR1ADRD2DRD4

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-1729174-B The synthesis of amine and the intermediate for the synthesis of amine CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2015-10-21 CN disclosed