SCHEMBL7756735

SCHEMBL7756735

Cc1ccc(CNCCCc2ccc3[nH]c(=O)sc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.47
CHRM2 P08172 1/20 0.47
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
HTR1A P08908 6/20 0.43
HTR2C P28335 6/20 0.43
MAPT P10636 1/20 0.40
P2RX3 P56373 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR2A P28223 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38

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 0.89 HTR1A (0.50) CHRM2HTR1AHTR2CHDAC3HDAC4
SCHEMBL7761677 0.87 PDE3B (0.56) CHRM2HTR1AHTR2CPDE3BPDE3A
SCHEMBL7760532 0.84 HTR1A (0.50) DRD4ALDH1A1HTR1AHTR2CMAPT
SCHEMBL7761668 0.83 MARS1 (0.48) HTR1AHTR2C
SCHEMBL7759828 0.79 HTR1A (0.42) ALDH1A1HTR1AHTR2CMAPTPDE3B
SCHEMBL9437757 0.78 HTR1A (0.48) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL9686038 0.77 ALDH1A1 (0.51) ALDH1A1PKMHTR1AHTR2CMAPT
SCHEMBL9685780 0.77 HTR1A (0.50) HTR1AHTR2CMAPTPDE3BPDE3A
SCHEMBL8948181 0.76 SIGMAR1 (0.51) CHRM2HTR1AHTR2CMAPT
SCHEMBL9658547 0.76 HTR1A (0.48) ALDH1A1PKMHTR1AHTR2CMAPT

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