SCHEMBL8948208

SCHEMBL8948208

CN1C[S+]([O-])c2cc(CCCNCc3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.44
BCHE P06276 3/20 0.42
MPO P05164 1/20 0.42
MAOA P21397 1/20 0.41
CHRM2 P08172 1/20 0.40
DPP7 Q9UHL4 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL27311854 0.91 SIGMAR1 (0.50) SIGMAR1
SCHEMBL27325421 0.91 CHRM2 (0.44) CHRM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7756742 0.87 CHRM2 (0.48) BCHECHRM2MEN1KMT2A
SCHEMBL27353262 0.86 SCN8A (0.41)
SCHEMBL8948251 0.81 CNR1 (0.33)
SCHEMBL8109680 0.79 L3MBTL1 (0.41) SIGMAR1CHRM2MEN1KMT2A
SCHEMBL9686135 0.78 IDH1 (0.38) SIGMAR1
Hydrochloric Acid SCHEMBL8871371 0.78 L3MBTL1 (0.40) SIGMAR1CHRM2MEN1KMT2A
SCHEMBL9437787 0.77 ACHE (0.44) TDP1
SCHEMBL9437915 0.77 ACHE (0.46) TDP1

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 1 patent. 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 disclosed