SCHEMBL9059632

SCHEMBL9059632

N=C(N)N1CCC(=NO)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
CHRNA7 P36544 1/20 0.43
TMPRSS2 O15393 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
TSHR P16473 2/20 0.39
CASP1 P29466 1/20 0.39
CHIA Q9BZP6 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.31
MC4R P32245 1/20 0.30
MC5R P33032 1/20 0.30
CPN1 P15169 1/20 0.30

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
SCHEMBL9385821 1.00 F2 (0.46) F2CHRNA7TMPRSS2HTR1AADRA2A
SCHEMBL9829410 0.77 CHRNA7 (0.43) CHRNA7TSHRCASP1GAA
SCHEMBL9059614 0.75 F2 (0.40) F2TMPRSS2HTR1AADRA2ACYP2D6
SCHEMBL9380424 0.75 F2 (0.40) F2TMPRSS2HTR1AADRA2ACYP2D6
SCHEMBL9387338 0.71 F2 (0.50) F2TMPRSS2HTR1AADRA2ACYP2D6
SCHEMBL9059517 0.71 F2 (0.50) F2TMPRSS2HTR1AADRA2ACYP2D6
Hydrochloric Acid SCHEMBL9834279 0.71 CHRNA7 (0.38) CHRNA7TSHRCASP1GAA
Hydrochloric Acid SCHEMBL9833870 0.71 CHRNA7 (0.38) CHRNA7TSHRCASP1GAA
SCHEMBL7234914 0.71 F2 (0.71) F2TMPRSS2HTR1AADRA2ACYP2D6
SCHEMBL1276509 0.71

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 6 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
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