SCHEMBL9059792

SCHEMBL9059792

CN(C)/C(=N\c1ccccc1N1CCOCC1)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.39
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 5/20 0.36
POLB P06746 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL9059795 1.00 AKR1C3 (0.39) AKR1C3ALOX15HSD17B10ALDH1A1POLB
SCHEMBL9060301 0.93 AKR1C3 (0.44) AKR1C3ALOX15HSD17B10ALDH1A1POLB
SCHEMBL9060311 0.93 AKR1C3 (0.44) AKR1C3ALOX15HSD17B10ALDH1A1POLB
SCHEMBL9060399 0.81 ALOX15 (0.41) AKR1C3ALOX15HSD17B10ALDH1A1POLB
SCHEMBL9424607 0.80 ALOX15 (0.40) AKR1C3ALOX15HSD17B10ALDH1A1POLB
Iodide SCHEMBL9424454 0.80 ALOX15 (0.40) AKR1C3ALOX15HSD17B10ALDH1A1POLB
SCHEMBL9424604 0.80 ALOX15 (0.40) AKR1C3ALOX15HSD17B10ALDH1A1POLB
SCHEMBL2707104 0.79 SIGMAR1 (0.40) AKR1C3ALOX15HSD17B10ALDH1A1POLB
SCHEMBL6553147 0.79 SIGMAR1 (0.40) AKR1C3ALOX15HSD17B10ALDH1A1POLB
SCHEMBL9063009 0.79 SIGMAR1 (0.52) AKR1C3ALOX15HSD17B10POLBMAPT

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 5 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 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