SCHEMBL7759828

SCHEMBL7759828

C=CCNCCCc1ccc2[nH]c(=O)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.42
HTR2C P28335 7/20 0.42
MAPT P10636 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
PGR P06401 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34

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
SCHEMBL7761417 0.80 HTR1A (0.50) HTR1AHTR2CDRD2ADRB2ADRB1
SCHEMBL7756735 0.79 DRD4 (0.47) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL7761668 0.77 MARS1 (0.48) HTR1AHTR2CDRD2PGRADRB2
SCHEMBL9437757 0.76 HTR1A (0.48) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL7760532 0.76 HTR1A (0.50) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL7761677 0.76 PDE3B (0.56) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL9164783 0.75 HTR1A (0.47) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL7761660 0.75 CXCR4 (0.44) HTR1AHTR2CPDE3BPDE3ALMNA
SCHEMBL8948245 0.75 SIGMAR1 (0.52) HTR1AHTR2CMAPT
SCHEMBL1324801 0.75 HTR1A (0.49) HTR1AHTR2CMAPTPDE3BPDE3A

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-0673934-B1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-04-25 EP disclosed
EP-0673934-A1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP disclosed