SCHEMBL11075306

SCHEMBL11075306

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.55
GRM1 Q13255 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
SLC6A7 Q99884 1/20 0.51
SCD O00767 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
OGA O60502 1/20 0.42
ALDH1A1 P00352 1/20 0.41
DRD2 P14416 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
SLC27A1 Q6PCB7 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
SCHEMBL11068370 0.87 GRM5 (0.51) GRM5GRM1HRH3SLC6A7SCD
SCHEMBL11071509 0.85 GRM5 (0.54) GRM5GRM1HRH3SLC6A7SCD
SCHEMBL11075950 0.82 HTR1A (0.51) GRM5GRM1HRH3SLC6A7SCD
SCHEMBL11075808 0.81 GRM5 (0.50) GRM5GRM1HRH3SLC6A7SCD
SCHEMBL5987878 0.80 GRM5 (0.58) GRM5GRM1HRH3SLC6A7SCD
SCHEMBL27722988 0.80 GRM5 (0.61) GRM5GRM1HRH3SLC6A7SCD
SCHEMBL11075066 0.79 GRM5 (0.51) GRM5GRM1HRH3SLC6A7SCD
SCHEMBL3844701 0.79 SLC6A7 (0.62) GRM5GRM1HRH3SLC6A7SCD
SCHEMBL11075729 0.77 HRH3 (0.45) GRM5GRM1HRH3SLC6A7SCD
SCHEMBL11067902 0.77 GRM5 (0.58) GRM5GRM1HRH3SLC6A7SCD

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