SCHEMBL9059323

SCHEMBL9059323

CCCCNC(=Nc1c(N2CCOCC2)cccc1N1CCOCC1)NC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 6/20 0.38
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ADRA1A P35348 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
RAB9A P51151 1/20 0.36
NAPEPLD Q6IQ20 1/20 0.36
PKM P14618 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
SCHEMBL9059919 0.93 SMN1; SMN2 (0.41) SMN1; SMN2HTTL3MBTL1DRD2DRD3
SCHEMBL9059917 0.93 SMN1; SMN2 (0.41) SMN1; SMN2HTTL3MBTL1DRD2DRD3
SCHEMBL9059813 0.92 SMN1; SMN2 (0.40) SMN1; SMN2HTTL3MBTL1DRD2DRD3
SCHEMBL9059822 0.87 SMN1; SMN2 (0.46) SMN1; SMN2HTTL3MBTL1DRD2DRD3
SCHEMBL9059818 0.87 SMN1; SMN2 (0.46) SMN1; SMN2HTTL3MBTL1DRD2DRD3
SCHEMBL9424111 0.84 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1DRD2DRD3GAA
SCHEMBL9424109 0.84 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1DRD2DRD3GAA
SCHEMBL9555559 0.81 L3MBTL1 (0.39) SMN1; SMN2HTTL3MBTL1GAAALDH1A1
SCHEMBL9059908 0.81 ALDH1A1 (0.41) SMN1; SMN2HTTL3MBTL1GAAALDH1A1
SCHEMBL9555562 0.81 L3MBTL1 (0.39) SMN1; SMN2HTTL3MBTL1GAAALDH1A1

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