SCHEMBL7759823

SCHEMBL7759823

CN1C[S+]([O-])c2cc(CCN3CCN(Cc4ccccc4)CC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.48
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
MC4R P32245 1/20 0.46
CCR3 P51677 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL7759855 0.92 CCR3 (0.58) SIGMAR1CCR3KMT2ADRD2
SCHEMBL7756765 0.88 SIGMAR1 (0.58) SIGMAR1POLBHTR1A
SCHEMBL8108851 0.84 CCR3 (0.59) SIGMAR1CCR3HTR1AKCNH2
SCHEMBL8109164 0.82 SIGMAR1 (0.51) SIGMAR1ADRA1DADRA1AADRA1BKMT2A
SCHEMBL7756722 0.82 SIGMAR1 (0.53) SIGMAR1POLB
SCHEMBL9449597 0.81 SIGMAR1 (0.55) SIGMAR1LMNAHTR1A
SCHEMBL9230596 0.81 SIGMAR1 (0.54) SIGMAR1POLB
SCHEMBL9449807 0.80 DRD2 (0.46) ADRA1AKMT2AHTR1ADRD2KCNH2
SCHEMBL9449641 0.80 ADRA1D (0.51) ADRA1DADRA1AADRA1BPOLBHTR1A
Hydrochloric Acid SCHEMBL9449688 0.79 ADRA1D (0.61) ADRA1DADRA1AADRA1BHTR1ADRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512569-A SIGMA RECEPTOR DISORDERS; PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1996-04-30 US claimed
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