SCHEMBL21361431

SCHEMBL21361431

COc1cc(F)ccc1N1CCN(I)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
DRD4 P21917 1/20 0.51
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTR1A P08908 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GFER P55789 1/20 0.47
MAPK1 P28482 2/20 0.47
SLC2A1 P11166 1/20 0.46
SLC2A3 P11169 1/20 0.46
DRD3 P35462 1/20 0.46
ALDH1A3 P47895 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL11719727 0.92 DRD2 (0.56) DRD2DRD4ALDH1A1L3MBTL1HTR1A
SCHEMBL7803381 0.85 L3MBTL1 (0.66) DRD2DRD4ALDH1A1L3MBTL1HTR1A
SCHEMBL30407538 0.85 ALDH1A1 (0.55) DRD2DRD4ALDH1A1L3MBTL1HTR1A
SCHEMBL21361478 0.81 DRD2 (0.49) DRD2DRD4ALDH1A1L3MBTL1HTR1A
SCHEMBL10819392 0.81 DRD2 (0.58) DRD2DRD4ALDH1A1HTR1AKMT2A
SCHEMBL30952473 0.81 HTR3A (0.66) DRD2HTR1ADRD3
SCHEMBL2875715 0.81 HTR3A (0.66) DRD2HTR1ADRD3
SCHEMBL11150752 0.80 DRD2 (0.71) DRD2ALDH1A1L3MBTL1HTR1AGFER
Hydrochloric Acid SCHEMBL5988519 0.79 LMNA (0.67) DRD2HTR1ADRD3
Hydrochloric Acid SCHEMBL7834101 0.79 LMNA (0.67) DRD2HTR1ADRD3

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
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed