SCHEMBL7759855

SCHEMBL7759855

CN1C[S+]([O-])c2cc(CCCCN3CCN(Cc4ccccc4)CC3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.58
SIGMAR1 Q99720 6/20 0.51
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTR7 P34969 1/20 0.45
DRD2 P14416 1/20 0.43
HTR2B P41595 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7759823 0.92 SIGMAR1 (0.48) CCR3SIGMAR1DRD2KMT2A
SCHEMBL9230596 0.89 SIGMAR1 (0.54) SIGMAR1
SCHEMBL8110476 0.85 SIGMAR1 (0.61) CCR3SIGMAR1
SCHEMBL8117012 0.84 SIGMAR1 (0.59) SIGMAR1DRD2KMT2A
SCHEMBL9449991 0.83 SIGMAR1 (0.47) SIGMAR1KDM4EALDH1A1HTR2BKMT2A
SCHEMBL9232860 0.83 SIGMAR1 (0.55) CCR3SIGMAR1KDM4EALDH1A1HTR7
SCHEMBL8948173 0.82 SIGMAR1 (0.46) SIGMAR1DRD2
SCHEMBL9449597 0.81 SIGMAR1 (0.55) SIGMAR1KDM4E
SCHEMBL8948263 0.81 SIGMAR1 (0.48) SIGMAR1HTR7DRD2
SCHEMBL7756765 0.81 SIGMAR1 (0.58) SIGMAR1HTR7

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
EP-0673934-A1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP claimed
US-5512569-A SIGMA RECEPTOR DISORDERS; PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1996-04-30 US disclosed