SCHEMBL3935685

SCHEMBL3935685

O=S(=O)(c1c(Cl)nc2sccn12)N1CCc2cnccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.46
HTR6 P50406 10/20 0.40
HTR7 P34969 3/20 0.40
HTR2C P28335 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
HTR2B P41595 1/20 0.40
ADRB2 P07550 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
S1PR1 P21453 1/20 0.38
C5AR1 P21730 1/20 0.38
SLC6A2 P23975 1/20 0.38
FPR3 P25089 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
GPR183 P32249 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL14280359 0.69 HTR6 (0.48) METHTR6HTR7HTR2CCYP3A4
SCHEMBL5458291 0.68 HTR7 (0.45) METHTR6HTR7HTR2CHTR2B
SCHEMBL344080 0.67 MET (0.52) METHTR6HTR7HTR2CCYP3A4
SCHEMBL20007689 0.67 HTR7 (0.46) METHTR6HTR7HTR2CCYP3A4
SCHEMBL1617632 0.67 HDAC3 (0.52) METHTR7CCKBR
SCHEMBL13757747 0.66 HTR6 (0.61) HTR6HTR2CADRA2A
SCHEMBL13599036 0.66 HTR7 (0.45) METHTR6HTR7HTR2CCYP3A4
SCHEMBL1422419 0.66 DYRK1A (0.53) METHTR6HTR7HTR2CCYP3A4
SCHEMBL1743494 0.66 MET (0.51) METHTR6HTR7HTR2CCYP3A4
Hydrochloric Acid SCHEMBL9958567 0.65 HTR6 (0.60) HTR6HTR2CADRA2A

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
WO-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed