SCHEMBL9685749

SCHEMBL9685749

CCCc1ccc2c(c1)[S+]([O-])CN2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HTR2C P28335 4/20 0.34
HTR2B P41595 2/20 0.34
SIGMAR1 Q99720 4/20 0.33
CA2 P00918 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GRIA2 P42262 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HRH1 P35367 1/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
HTR2A P28223 2/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31

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
SCHEMBL9685609 0.91 DRD2 (0.39) HTR2CSIGMAR1CA2DRD2DRD3
SCHEMBL9684037 0.89 S1PR1 (0.38) HTR2CSIGMAR1CA2ADRA2AADRA2B
SCHEMBL9684023 0.87 KDM4E (0.35)
SCHEMBL7761425 0.86 GRIA2 (0.31) GRIA2
SCHEMBL9437722 0.86 SIGMAR1 (0.36) HTR2BSIGMAR1HTR2A
Hydrochloric Acid SCHEMBL9437889 0.84 SIGMAR1 (0.37) HTR2BSIGMAR1HTR2A
Hydrochloric Acid SCHEMBL8871802 0.84 LMNA (0.38) ADRA2ADRD2DRD3DRD1DRD4
SCHEMBL8109679 0.83 MAPT (0.41) SIGMAR1ADRA2AADRA2BADRA2CDRD2
SCHEMBL7760492 0.83
SCHEMBL9449597 0.82 SIGMAR1 (0.55) SIGMAR1

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-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed