SCHEMBL9059945

SCHEMBL9059945

CN1CCN(C(N)=Nc2cc(F)ccc2-c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.37
MET P08581 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CHEK1 O14757 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
CHRM3 P20309 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 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
SCHEMBL9059335 0.90 MET (0.39) POLBMETKDM4ECHEK1ALDH1A1
SCHEMBL9059786 0.84 SIGMAR1 (0.46) POLBCYP2C9KDM4EL3MBTL1SIGMAR1
SCHEMBL9059864 0.84 SIGMAR1 (0.40) CYP2C9KDM1AMAOAMAOBL3MBTL1
SCHEMBL9060156 0.84 SIGMAR1 (0.41) POLBMETKDM4ECHEK1ALDH1A1
SCHEMBL9059550 0.83 ALDH1A1 (0.40) POLBCYP2C9KDM4ECHEK1ALDH1A1
SCHEMBL9059169 0.79 POLB (0.39) POLBMETKDM4ECHEK1ALDH1A1
SCHEMBL9537649 0.76 POLB (0.39) POLBKDM4EKDM1AMAOAMAOB
SCHEMBL9060033 0.76 ALDH1A1 (0.40) POLBCYP2C9KDM4ECHEK1ALDH1A1
SCHEMBL9311430 0.74 SIGMAR1 (0.41) POLBMETKDM4ECHEK1ALDH1A1
SCHEMBL9059413 0.74 SIGMAR1 (0.42) KDM1AMAOAMAOBL3MBTL1SIGMAR1

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 4 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
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