SCHEMBL9424014

SCHEMBL9424014

CN(C)C(N)=Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
GAA P10253 1/20 0.49
SLC2A1 P11166 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
MAPT P10636 7/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALOX15 P16050 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL9555398 0.84 NOS1 (0.49) GAANOS1MAPTALDH1A1KDM4E
SCHEMBL9059189 0.83 ADRA2A (0.42) ADRA2AADRA2BADRA2CGAASLC2A1
SCHEMBL27664452 0.82 ADRA2A (0.79) ADRA2AADRA2BADRA2CNOS3NOS1
SCHEMBL2707104 0.75 SIGMAR1 (0.40) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL6553147 0.75 SIGMAR1 (0.40) GAAMAPTALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL9424098 0.74 SIGMAR1 (0.39) GAAMAPTALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL9424101 0.74 SIGMAR1 (0.39) GAAMAPTALDH1A1NPC1RAB9A
Nitric Acid SCHEMBL2909782 0.73 ADRA2A (0.63) ADRA2AADRA2BADRA2CMAPTALDH1A1
SCHEMBL4566375 0.72 MAPT (0.55) GAASLC2A1MAPTALDH1A1KDM4E
SCHEMBL9423979 0.72 ALDH1A1 (0.43) GAAMAPTALDH1A1KDM4ERAB9A

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
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
CN-1057648-A Therapeutical agent BOOTS CO PLC (GB) 1992-01-08 CN 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