SCHEMBL8722377

SCHEMBL8722377

CN1CCN(c2ccccc2NC(Cl)C=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
MAPK1 P28482 5/20 0.46
POLB P06746 1/20 0.46
ADRA2C P18825 1/20 0.44
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK10 P53779 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 3/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 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
SCHEMBL5543471 0.77 MAPK1 (0.51) NPBWR1MCHR1MAPK1POLBADRA2C
SCHEMBL14624200 0.75 ADRA2C (0.59) NPBWR1MCHR1MAPK1POLBADRA2C
Hydrochloric Acid SCHEMBL3474045 0.73 ADRA2C (0.58) NPBWR1MCHR1MAPK1POLBADRA2C
SCHEMBL27506463 0.73 ADRA2C (0.56) NPBWR1MCHR1MAPK1POLBADRA2C
SCHEMBL15690802 0.72 ADRA2C (0.51) NPBWR1MCHR1MAPK1POLBADRA2C
SCHEMBL5543466 0.71 MAPK1 (0.51) NPBWR1MCHR1MAPK1POLBADRA2C
SCHEMBL14355835 0.70 TSHR (0.52) NPBWR1MCHR1MAPK1POLBADRA2C
SCHEMBL13159555 0.70 MAPK1 (0.64) NPBWR1MCHR1MAPK1POLBADRA2C
SCHEMBL27762010 0.70 ADRA2C (0.49) MAPK1ADRA2CKMT2AMAPTEGFR
SCHEMBL14355832 0.70 HSD17B10 (0.71) NPBWR1MCHR1MAPK1POLBKMT2A

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-1998042692-A1 PIPERAZINES DERIVED FROM CYCLIC AMINES, PREPARATION AND APPLICATION THEREOF AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 1998-10-01 WO disclosed