SCHEMBL22144682

SCHEMBL22144682

O=C1NCCCN1c1ccc2c(c1)CCNC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.46
ASIC3 Q9UHC3 3/20 0.46
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
F10 P00742 4/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39

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
SCHEMBL7474353 0.82 HTR6 (0.51) HTR6
SCHEMBL20929543 0.81 HTR6 (0.55) HTR6ASIC3SLC6A2SLC6A4SLC6A3
SCHEMBL22144444 0.80 DDB1 (0.53) HTR6ASIC3F10DRD2DRD3
SCHEMBL30201617 0.80 DDB1 (0.53) HTR6ASIC3F10DRD2DRD3
Hydrochloric Acid SCHEMBL25431522 0.79 DDB1 (0.51) HTR6ASIC3F10DRD2DRD3
Hydrochloric Acid SCHEMBL29507046 0.79 DDB1 (0.51) HTR6ASIC3F10DRD2DRD3
SCHEMBL15939888 0.77 TSHR (0.47) HTR6PARP1
SCHEMBL8262713 0.76 ALDH1A1 (0.49) HTR6SLC6A2SLC6A4SLC6A3PARP1
SCHEMBL25405394 0.75 PNMT (0.47) HTR6ASIC3DRD2DRD3
SCHEMBL30801297 0.75 ASIC3 (0.47) HTR6ASIC3DRD2DRD3PARP1

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-2020132561-A1 TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed