SCHEMBL9059580

SCHEMBL9059580

NC(=Nc1ccccc1-c1ccccc1F)N1CCC(O)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR6 P50406 1/20 0.33
PDK2 Q15119 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
GRM5 P41594 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9059612 0.84 SIGMAR1 (0.43) SIGMAR1ALOX5APFEN1ATMKDM4E
SCHEMBL9059900 0.83 SIGMAR1 (0.49) SIGMAR1NPC1RAB9ASMN1; SMN2ATM
SCHEMBL9059413 0.82 SIGMAR1 (0.42) SIGMAR1NPC1L3MBTL1
SCHEMBL9059676 0.81 SIGMAR1 (0.43) SIGMAR1ALOX5APFEN1ATMKDM4E
SCHEMBL9537404 0.78 SIGMAR1 (0.39) SIGMAR1ALOX5APFEN1ATMGRM5
SCHEMBL9311430 0.77 SIGMAR1 (0.41) SIGMAR1ATMKDM4ELMNAGAA
SCHEMBL9059245 0.76 SIGMAR1 (0.44) SIGMAR1ALOX5APFEN1SMN1; SMN2PDK2
SCHEMBL9060156 0.74 SIGMAR1 (0.41) SIGMAR1ALOX5APFEN1ATMKDM4E
SCHEMBL8392887 0.73 SIGMAR1 (0.60) SIGMAR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9059741 0.72 CYP46A1 (0.42) SIGMAR1ATMKDM4EHTR7LMNA

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