SCHEMBL2334111

SCHEMBL2334111

CN(CCN1CCN(c2cccnc2Cl)CC1)S(=O)(=O)c1cnn(C)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
HTR7 P34969 12/20 0.39
HTR2A P28223 9/20 0.39
HTR1A P08908 8/20 0.39
DRD2 P14416 6/20 0.39
ADRB2 P07550 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
CCR5 P51681 1/20 0.38
HTR6 P50406 5/20 0.38
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
HTR2C P28335 1/20 0.35

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
SCHEMBL2331975 0.85 SMN1; SMN2 (0.48) SIGMAR1HTR7HTR2AHTR1ADRD2
SCHEMBL2331440 0.85 SIGMAR1 (0.39) SIGMAR1HTR7HTR2AHTR1ADRD2
SCHEMBL12156847 0.83 HTR7 (0.42) SIGMAR1HTR7HTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL2330966 0.82 HTR7 (0.41) SIGMAR1HTR7HTR2AHTR1ADRD2
SCHEMBL2361390 0.82 HTR7 (0.41) SIGMAR1HTR7HTR2AHTR1ADRD2
SCHEMBL12156859 0.82 HTR7 (0.46) HTR7HTR2AHTR1ADRD2HTR6
Hydrochloric Acid SCHEMBL2331730 0.81 HTR7 (0.45) HTR7HTR2AHTR1ADRD2HTR6
SCHEMBL12156846 0.80 HTR7 (0.40) SIGMAR1HTR7HTR2AHTR1ADRD2
SCHEMBL12156860 0.80 CA12 (0.39) SIGMAR1HTR7HTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL2338015 0.80 HTR7 (0.39) SIGMAR1HTR7HTR2AHTR1ADRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048884-B2 Substituted piperazinyl pyrazines and pyridines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US disclosed
EP-2188268-B1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2011-08-17 EP disclosed