SCHEMBL19084426

SCHEMBL19084426

O=C1C2C(C(=O)N1CC1CCCCC1CN1CCN(C3=NS(=O)(=O)c4ccccc43)CC1)[C@H]1CC[C@@H]2CC1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.55
DRD2 P14416 2/20 0.49
ADRA2C P18825 2/20 0.49
HTR2A P28223 2/20 0.49
ABCB11 O95342 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 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
HTR7 P34969 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
SCHEMBL16804116 0.90 ALDH1A1 (0.49) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL18673156 0.79 ALDH1A1 (0.44) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL19084395 0.78 ALDH1A1 (0.45) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL19084389 0.77 HTR2B (0.89) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL16229130 0.73 DRD2 (0.62) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL12445891 0.73 DRD2 (0.62) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL2540314 0.72 DRD2 (0.63) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL14241095 0.71 HTR2B (1.00) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL2545280 0.69 DRD2 (0.66) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL2541954 0.69 DRD2 (0.58) HTR2BDRD2ADRA2CHTR2AABCB11

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-20170192025-A1 METHODS OF MONITORING ADHERENCE TO LURASIDONE THERAPY AMERITOX LLC (US) 2017-07-06 US disclosed