SCHEMBL14280359

SCHEMBL14280359

CCC1CCN(S(=O)(=O)c2c(Cl)nc3sccn23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.48
MET P08581 7/20 0.46
HTR7 P34969 3/20 0.45
HTR2C P28335 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2B P41595 1/20 0.44
RXFP1 Q9HBX9 1/20 0.41
ADRA2A P08913 2/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
S1PR1 P21453 1/20 0.41
C5AR1 P21730 1/20 0.41
SLC6A2 P23975 1/20 0.41
FPR3 P25089 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
GPR183 P32249 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL13599036 0.89 HTR7 (0.45) HTR6METHTR7HTR2CCYP3A4
SCHEMBL14468673 0.76 DYRK1A (0.50) HTR6METHTR7HTR2CCYP3A4
SCHEMBL20007689 0.74 HTR7 (0.46) HTR6METHTR7HTR2CCYP3A4
SCHEMBL344080 0.72 MET (0.52) HTR6METHTR7HTR2CCYP3A4
SCHEMBL3145297 0.71 HTR6 (0.56) HTR6
SCHEMBL3148459 0.70 HTR6 (0.48) HTR6HTR7
SCHEMBL3935685 0.69 MET (0.46) HTR6METHTR7HTR2CCYP3A4
SCHEMBL28777419 0.69 HTR7 (0.40) HTR6METHTR7HTR2CCYP3A4
SCHEMBL13303274 0.66 HTR6 (0.67) HTR6
SCHEMBL13325665 0.65 HTR6 (0.71) HTR6

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-2008025857-A2 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2008-03-06 WO disclosed