SCHEMBL9059154

SCHEMBL9059154

Cc1cccc(-c2ccccc2)c1N=C(N)N1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
CHRM3 P20309 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
CHEK1 O14757 1/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL9537980 0.88 SIGMAR1 (0.47) POLBKDM4ESIGMAR1GRIN2DGRIN3B
SCHEMBL9537649 0.86 POLB (0.39) POLBNPC1L3MBTL1KDM4ESIGMAR1
SCHEMBL9061389 0.85 SIGMAR1 (0.39) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9059786 0.81 SIGMAR1 (0.46) POLBL3MBTL1KDM4ESIGMAR1KMT2A
SCHEMBL9059169 0.75 POLB (0.39) POLBNPC1L3MBTL1KDM4ESIGMAR1
SCHEMBL11485191 0.74 SIGMAR1 (0.50) POLBKDM4ESIGMAR1GRIN2DGRIN3B
SCHEMBL9059945 0.72 POLB (0.38) POLBNPC1L3MBTL1KDM4ESIGMAR1
SCHEMBL9059335 0.72 MET (0.39) POLBNPC1L3MBTL1KDM4ESIGMAR1
SCHEMBL9060002 0.72 SIGMAR1 (0.40) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9059864 0.71 SIGMAR1 (0.40) L3MBTL1SIGMAR1CHRM3CYP2C9

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