SCHEMBL28128243

SCHEMBL28128243

CCc1cc(N)ccc1C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
HTR6 P50406 5/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HTR1A P08908 1/20 0.38
PLAT P00750 1/20 0.37
PLG P00747 1/20 0.37

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
SCHEMBL23334744 0.88 CHRNB2 (0.38) CHRNB2CHRNA4
Tert-Butyl Formate SCHEMBL28839897 0.88 HTR6 (0.38) HTR2CSLC6A2SLC6A4SLC6A3GABRA1
SCHEMBL27568437 0.83 SLC6A2 (0.38) HTR2CSLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL20847703 0.82 HTR2C (0.51) HTR2CSLC6A2SLC6A4SLC6A3GABRA1
SCHEMBL30226317 0.81 SLC6A2 (0.41) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL19012966 0.81 SLC6A2 (0.41) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL31223147 0.81 HTR2C (0.42) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL28134205 0.81 SLC6A2 (0.43) HTR2CSLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL26040667 0.79 HTR1D (0.52) HTR6PLG
SCHEMBL19022096 0.78 HTR6 (0.48) HTR2CSLC6A2SLC6A4SLC6A3CHRNB2

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-106470985-A Indane and indoline derivatives as soluble guanylate cyclase activators and uses thereof 诺华股份有限公司 2017-03-01 CN disclosed