SCHEMBL6554655

SCHEMBL6554655

NC(N)=Nc1ccccc1N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL9060005 0.89 AKR1C3 (0.44) AKR1C3LMNAMAPTPOLBHSD17B10
SCHEMBL2707104 0.83 SIGMAR1 (0.40) AKR1C3LMNAMAPTPOLBALDH1A1
SCHEMBL9424008 0.83 ALDH1A1 (0.40) AKR1C3LMNAMAPTPOLBALDH1A1
SCHEMBL6553147 0.83 SIGMAR1 (0.40) AKR1C3LMNAMAPTPOLBALDH1A1
SCHEMBL9424006 0.83 ALDH1A1 (0.40) AKR1C3LMNAMAPTPOLBALDH1A1
SCHEMBL9063009 0.83 SIGMAR1 (0.52) AKR1C3LMNAMAPTPOLBHSD17B10
Hydrochloric Acid SCHEMBL9424098 0.82 SIGMAR1 (0.39) AKR1C3LMNAMAPTPOLBALDH1A1
Hydrochloric Acid SCHEMBL9424101 0.82 SIGMAR1 (0.39) AKR1C3LMNAMAPTPOLBALDH1A1
SCHEMBL9059688 0.82 SIGMAR1 (0.51) AKR1C3LMNAPOLBNPC1KDM4E
SCHEMBL9059357 0.81 SMN1; SMN2 (0.40) AKR1C3LMNAMAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946181-B1 USE OF 2-(2-MORPHOLINOPHENYL) GUANIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES COMPLICATIONS KNOLL GMBH (DE) 2004-02-25 EP disclosed
US-6133267-A Use of 2-(2-morpholinophenyl) guanidine derivatives for the treatment of diabetes complications KNOLL AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
EP-0946181-A1 USE OF 2-(2-MORPHOLINOPHENYL) GUANIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES COMPLICATIONS KNOLL AKTIENGESELLSCHAFT (DE) 1999-10-06 EP disclosed
WO-1998026782-A1 USE OF 2-(2-MORPHOLINOPHENYL) GUANIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES COMPLICATIONS KNOLL AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
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
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