SCHEMBL11075729

SCHEMBL11075729

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
GRM5 P41594 1/20 0.45
GRM1 Q13255 1/20 0.45
SLC6A7 Q99884 1/20 0.44
SCD O00767 1/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR1A P08908 1/20 0.38
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OGA O60502 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL11075950 0.84 HTR1A (0.51) HRH3GRM5GRM1SLC6A7SCD
SCHEMBL11075808 0.78 GRM5 (0.50) HRH3GRM5GRM1SLC6A7SCD
SCHEMBL11075306 0.77 GRM5 (0.55) HRH3GRM5GRM1SLC6A7SCD
SCHEMBL11071509 0.77 GRM5 (0.54) HRH3GRM5GRM1SLC6A7SCD
SCHEMBL11068370 0.76 GRM5 (0.51) HRH3GRM5GRM1SLC6A7SCD
SCHEMBL11071559 0.76 RAB9A (0.67) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL5178383 0.74 GRM5 (0.54) HRH3GRM5GRM1SLC6A7SCD
SCHEMBL11052726 0.74 HRH3 (0.51) HRH3MEN1KMT2AALDH1A1
SCHEMBL11074430 0.73 HRH3 (0.48) HRH3GRM5GRM1SLC6A7SCD
SCHEMBL5987878 0.72 GRM5 (0.58) HRH3GRM5GRM1SLC6A7SCD

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