SCHEMBL9060356

SCHEMBL9060356

CSc1ccc(N=C(N)N(C)C)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.44
GRIN3B O60391 3/20 0.44
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
GRIN2B Q13224 3/20 0.44
GRIN2C Q14957 3/20 0.44
GRIN3A Q8TCU5 3/20 0.44
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
CHRM1 P11229 1/20 0.36
PLAU P00749 1/20 0.36
RAB9A P51151 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL9311522 0.82 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9060033 0.75 ALDH1A1 (0.40) CHRM1RAB9ASIGMAR1
SCHEMBL9059686 0.74 KDM4E (0.39) CHRM1RAB9ASIGMAR1
SCHEMBL9059642 0.73 SIGMAR1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9539364 0.71 SIGMAR1 (0.41) SIGMAR1
SCHEMBL19712959 0.71 PTGS2 (0.38) CHRM1
SCHEMBL9539859 0.70 HTR7 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9059656 0.69 SIGMAR1 (0.43) PLAURAB9ASIGMAR1
SCHEMBL3791154 0.69 ALDH1A1 (0.48) CHRM1PLAURAB9A
SCHEMBL28839717 0.69 BACE1 (0.56) CHRM1PLAU

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
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