SCHEMBL9059859

SCHEMBL9059859

CCCCNC(=Nc1c(C)cccc1N1CCSCC1)NC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD3 P35462 2/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
SLC6A4 P31645 4/20 0.33
PKM P14618 1/20 0.33
BCHE P06276 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
FAAH O00519 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9059853 1.00 GAA (0.35) GAAL3MBTL1DRD3DRD2HTR2A
SCHEMBL9059919 0.87 SMN1; SMN2 (0.41) GAAL3MBTL1DRD3DRD2LMNA
SCHEMBL9059917 0.87 SMN1; SMN2 (0.41) GAAL3MBTL1DRD3DRD2LMNA
SCHEMBL9059509 0.83 GAA (0.39) GAAL3MBTL1PKMBCHELMNA
SCHEMBL9059323 0.80 SMN1; SMN2 (0.44) GAAL3MBTL1DRD3DRD2PKM
SCHEMBL9059862 0.78 POLB (0.37) GAAL3MBTL1HTR2AHTR2CSLC6A4
SCHEMBL9059813 0.75 SMN1; SMN2 (0.40) GAAL3MBTL1DRD3DRD2PKM
SCHEMBL9059083 0.73 SOAT1 (0.38) DRD3DRD2LMNAALDH1A1
SCHEMBL9059080 0.73 SOAT1 (0.38) DRD3DRD2LMNAALDH1A1
SCHEMBL9059648 0.71 AKR1C3 (0.44) L3MBTL1LMNAALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO claimed
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed