SCHEMBL11075950

SCHEMBL11075950

CCN(CC)C(=O)N1CCN(c2nccs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.51
GRM5 P41594 1/20 0.51
GRM1 Q13255 1/20 0.51
SLC6A7 Q99884 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
SCD O00767 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL11075808 0.88 GRM5 (0.50) GRM5GRM1SLC6A7HRH3SCD
SCHEMBL11071509 0.84 GRM5 (0.54) GRM5GRM1SLC6A7HRH3SCD
SCHEMBL11075729 0.84 HRH3 (0.45) HTR1AGRM5GRM1SLC6A7HRH3
SCHEMBL11075306 0.82 GRM5 (0.55) GRM5GRM1SLC6A7HRH3SCD
SCHEMBL5178383 0.81 GRM5 (0.54) GRM5GRM1SLC6A7HRH3SCD
SCHEMBL11068370 0.81 GRM5 (0.51) GRM5GRM1SLC6A7HRH3SCD
SCHEMBL5987878 0.79 GRM5 (0.58) GRM5GRM1SLC6A7HRH3SCD
SCHEMBL6941077 0.79 HRH3 (0.55) HTR1AGRM5GRM1SLC6A7HRH3
SCHEMBL27722988 0.79 GRM5 (0.61) GRM5GRM1SLC6A7HRH3SCD
SCHEMBL11071328 0.78 KMT2A (0.53) GRM5GRM1SLC6A7HRH3SCD

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-4476128-A ANTIARTHRITIC AGENTS ANTIBODY INHIBITORS MITSUITOATSU CHEMICALS, INC. (JP) 1984-10-09 US disclosed