SCHEMBL9059112

SCHEMBL9059112

CCCCNC(=Nc1ccccc1N1CCOCC1)NCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
ADRA1A P35348 1/20 0.37
PKM P14618 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
RAB9A P51151 1/20 0.37
KCNQ2 O43526 1/20 0.37

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
SCHEMBL9059110 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1L3MBTL1GAANAPEPLD
SCHEMBL9060495 0.92 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1L3MBTL1GAALMNA
SCHEMBL9059822 0.91 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1L3MBTL1GAANAPEPLD
SCHEMBL9059818 0.91 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1L3MBTL1GAANAPEPLD
SCHEMBL9424483 0.89 SMN1; SMN2 (0.44) SMN1; SMN2NPSR1L3MBTL1GAANAPEPLD
SCHEMBL9424111 0.87 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1L3MBTL1GAANAPEPLD
SCHEMBL9424109 0.87 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1L3MBTL1GAANAPEPLD
SCHEMBL9424172 0.86 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1L3MBTL1GAANAPEPLD
SCHEMBL9424173 0.86 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1L3MBTL1GAANAPEPLD
SCHEMBL9061168 0.85 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1L3MBTL1LMNAMEN1

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