SCHEMBL7756716

SCHEMBL7756716

Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 1.00
HTR1A P08908 7/20 0.60
HTR2C P28335 5/20 0.60
ACHE P22303 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL9232854 0.93 SIGMAR1 (1.00) SIGMAR1HTR1AHTR2C
SCHEMBL7756758 0.84 SIGMAR1 (1.00) SIGMAR1HTR1AHTR2CACHE
SCHEMBL7759816 0.82 SIGMAR1 (1.00) SIGMAR1HTR1AHTR2CACHE
Hydrochloric Acid SCHEMBL9514659 0.77 SIGMAR1 (0.64) SIGMAR1KDM4EALDH1A1POLBTDP1
SCHEMBL9449586 0.77 SIGMAR1 (0.69) SIGMAR1HTR1AHTR2C
SCHEMBL7762759 0.76 HTR1A (0.65) SIGMAR1HTR1AHTR2CACHEKDM4E
SCHEMBL7759846 0.75 SIGMAR1 (1.00) SIGMAR1HTR1AHTR2CACHE
SCHEMBL9449797 0.73 HTR1A (0.72) SIGMAR1HTR1AHTR2C
SCHEMBL8948162 0.73 SIGMAR1 (0.69) SIGMAR1HTR1AHTR2C
Hydrochloric Acid SCHEMBL9449919 0.72 HTR1A (0.98) SIGMAR1HTR1AHTR2C

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 claimed
CN-1111626-A Preparation and the pharmaceutical compositions which contain them ADIR (FR) 1995-11-15 CN claimed
EP-0673934-A1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP disclosed