SCHEMBL9059898

SCHEMBL9059898

COC1CCN(C(=N)N)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.44
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
GAA P10253 1/20 0.39
TPSAB1 Q15661 4/20 0.39
TPSD1 Q9BZJ3 4/20 0.39
TPSG1 Q9NRR2 4/20 0.39
F11 P03951 1/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
CHRM1 P11229 1/20 0.33
PRSS1 P07477 1/20 0.33

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
SCHEMBL9382040 1.00 F2 (0.44) F2CPN1CPB2GAATPSAB1
SCHEMBL15244807 0.88 F2 (0.37) F2CPN1CPB2GAATPSAB1
SCHEMBL15244805 0.88 F2 (0.37) F2CPN1CPB2GAATPSAB1
SCHEMBL10143134 0.80 CPN1 (0.40) F2CPN1CPB2NPC1RAB9A
SCHEMBL28870282 0.79 GAA (0.44) F2CPN1CPB2GAATPSAB1
SCHEMBL1700940 0.78 KMT2A (0.40) GAANOS3NOS2NPC1RAB9A
SCHEMBL20369080 0.77
SCHEMBL9380063 0.76 F2 (0.43) F2CPN1CPB2TPSAB1TPSD1
SCHEMBL9059988 0.76 F2 (0.43) F2CPN1CPB2TPSAB1TPSD1
SCHEMBL14595469 0.75 HPGD (0.33) NPC1RAB9AKMT2AHPGD

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