SCHEMBL18673148

SCHEMBL18673148

CSc1ccccc1C(=N)N1CCN(CC2CCCCC2CN2C(=O)C3C(C2=O)[C@@H]2CC[C@@H]3C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.49
HTR2A P28223 4/20 0.49
HTR1A P08908 3/20 0.49
HTR7 P34969 3/20 0.49
ADRA2C P18825 2/20 0.49
HTR2B P41595 2/20 0.49
ABCB11 O95342 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADRA2B P18089 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
ACHE P22303 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
HTR2C P28335 1/20 0.49
CCKAR P32238 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49

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
SCHEMBL16804119 1.00 DRD2 (0.49) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL18672972 0.88 HTR2B (0.41) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL16804117 0.88 HTR2B (0.41) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL19084396 0.82 HTR2B (0.34) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL12654910 0.78 HTR2B (0.45) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL10034019 0.75 DRD2 (0.50) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL10034000 0.72 DRD2 (0.55) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL2545295 0.71 HTR1A (0.64) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL2540314 0.70 DRD2 (0.63) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL2545276 0.70 HTR1A (0.68) DRD2HTR2AHTR1AHTR7ADRA2C

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
US-9606132-B2 Methods of monitoring adherence to lurasidone therapy AMERITOX, LTD. (US) 2017-03-28 US disclosed