SCHEMBL7762986

SCHEMBL7762986

CCCN(CCC)CCCc1ccc2[nH]c(=O)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.45
HTR2C P28335 6/20 0.45
MAPT P10636 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL8947871 0.92 DRD2 (0.48) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL8871094 0.88 HTR1A (0.42) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL9685780 0.86 HTR1A (0.50) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL175879 0.84 HTR1A (0.51) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL9684901 0.82 PDE3B (0.51) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL8786271 0.79 HTR1A (0.48) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL1324801 0.77 HTR1A (0.49) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL1325447 0.77 HTR1A (0.49) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL4882695 0.76 HTR1A (0.51) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL9684687 0.76 HTR1A (0.46) 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 3 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
US-5512569-A SIGMA RECEPTOR DISORDERS; PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1996-04-30 US disclosed
EP-0673934-A1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP disclosed