SCHEMBL9059540

SCHEMBL9059540

N=C(N)N1CCC(CO)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
CPN1 P15169 1/20 0.44
CPB2 Q96IY4 1/20 0.44
TPSAB1 Q15661 7/20 0.43
TPSD1 Q9BZJ3 7/20 0.43
TPSG1 Q9NRR2 7/20 0.43
ALOX5 P09917 1/20 0.37
GAA P10253 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
SCHEMBL9381035 1.00 F2 (0.46) F2CPN1CPB2TPSAB1TPSD1
SCHEMBL8357898 0.82 F2 (0.46) F2CPN1CPB2TPSAB1TPSD1
SCHEMBL3163506 0.82 NCF1 (0.48) F2CPN1CPB2TPSAB1TPSD1
Hydrochloric Acid SCHEMBL5093833 0.80 NCF1 (0.46) F2CPN1CPB2TPSAB1TPSD1
Hydrochloric Acid SCHEMBL5089336 0.80 NCF1 (0.46) F2CPN1CPB2TPSAB1TPSD1
SCHEMBL5969150 0.78 TPSAB1 (0.46) F2CPN1CPB2TPSAB1TPSD1
SCHEMBL12514070 0.78 TPSAB1 (0.46) F2CPN1CPB2TPSAB1TPSD1
SCHEMBL3435150 0.77 ALOX5 (0.37) ALOX5
SCHEMBL14344825 0.77 CPN1 (0.43) CPN1CPB2ALOX5
SCHEMBL4578235 0.77 ALOX5 (0.44) CPN1CPB2TPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP claimed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 WO claimed
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
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP disclosed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US disclosed
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 WO disclosed