SCHEMBL9059919

SCHEMBL9059919

CCCCNC(=Nc1c(C)cccc1N1CCOCC1)NC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 3/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
HTT P42858 1/20 0.36
AKR1C3 P42330 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DRD2 P14416 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
SCHEMBL9059917 1.00 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1GAAKDM4E
SCHEMBL9059323 0.93 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1GAARAB9A
SCHEMBL9059813 0.88 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1GAAKDM4ENPC1
SCHEMBL9059859 0.87 GAA (0.35) LMNAALDH1A1GAADRD2DRD3
SCHEMBL9059853 0.87 GAA (0.35) LMNAALDH1A1GAADRD2DRD3
SCHEMBL9059648 0.86 AKR1C3 (0.44) SMN1; SMN2LMNAALDH1A1NPC1HPGD
SCHEMBL9059818 0.83 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1GAARAB9A
SCHEMBL9059822 0.83 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1GAARAB9A
SCHEMBL9424109 0.80 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1GAARAB9A
SCHEMBL9424111 0.80 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037346-C Therapeutic agents BOOTS CO LTD (GB) 1998-02-11 CN disclosed
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
US-5373008-A Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents THE BOOTS COMPANT PLC. (GB) 1994-12-13 US disclosed
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP disclosed