SCHEMBL8948349

SCHEMBL8948349

CN1C[S+]([O-])c2cc(CCCN3CCSCC3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SIGMAR1 Q99720 8/20 0.36
KDM1A O60341 1/20 0.36
POLB P06746 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EBP Q15125 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KCNJ1 P48048 1/20 0.34

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
SCHEMBL8948173 0.88 SIGMAR1 (0.46) SLC6A4HRH3SIGMAR1DRD2SLC6A3
SCHEMBL8948263 0.87 SIGMAR1 (0.48) SLC6A4HRH3SIGMAR1TMEM97DRD2
SCHEMBL7759833 0.86 SIGMAR1 (0.51) HRH3SIGMAR1POLB
SCHEMBL9449991 0.82 SIGMAR1 (0.47) HRH3SIGMAR1KDM1APOLBSMN1; SMN2
SCHEMBL9449597 0.80 SIGMAR1 (0.55) SIGMAR1EBPTMEM97KDM4E
SCHEMBL9685609 0.80 DRD2 (0.39) SIGMAR1SMN1; SMN2DRD2
SCHEMBL7759855 0.79 CCR3 (0.58) SIGMAR1DRD2KDM4E
SCHEMBL7760492 0.79
SCHEMBL9684037 0.79 S1PR1 (0.38) SLC6A4SIGMAR1DRD2SLC6A3KDM4E
SCHEMBL9437752 0.78 THRA (0.31)

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