SCHEMBL28296415

SCHEMBL28296415

CN(C)CCC(N)c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
HRH1 P35367 2/20 0.40
CFD P00746 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
ALOX5 P09917 1/20 0.39
CCR2 P41597 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
HTR1D P28221 2/20 0.32
CHRM2 P08172 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL19926267 0.81 ALOX5 (0.41) HTR2AHRH1CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL28706811 0.80 ALOX5 (0.40) HTR2AHRH1CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL28690394 0.80 ALOX5 (0.40) HTR2AHRH1CHRNB2CHRNB4CHRNA3
SCHEMBL18822219 0.79 ALOX5 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL9244730 0.79 CHRNB2 (0.42) HTR2AHRH1CHRNB2CHRNB4CHRNA3
SCHEMBL3461 0.79 CHRNB2 (0.42) HTR2AHRH1CHRNB2CHRNB4CHRNA3
SCHEMBL13591893 0.78 ALOX5 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL20763599 0.76 RIPK1 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL13536755 0.76 ALOX5 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL27927012 0.75 ALOX5 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5

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
CN-109843379-B Substituted ureas and methods of making and using the same 梅比斯发现公司 2022-12-30 CN disclosed
CN-109843379-A Substituted ureas and methods of making and using the same 梅比斯发现公司 2019-06-04 CN disclosed