SCHEMBL9059900

SCHEMBL9059900

NC(=Nc1ccccc1-c1ccccc1)N1CCC(O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.49
ATM Q13315 1/20 0.41
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
PDPK1 O15530 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
PAK4 O96013 1/20 0.40
CHEK2 O96017 1/20 0.40
EGFR P00533 1/20 0.40
NTRK1 P04629 1/20 0.40
PRKCG P05129 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CDK1 P06493 1/20 0.40
LYN P07948 1/20 0.40
MET P08581 1/20 0.40

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
SCHEMBL9059245 0.92 SIGMAR1 (0.44) SIGMAR1ATMCDC7PLK4CHEK1
SCHEMBL9059612 0.89 SIGMAR1 (0.43) SIGMAR1ATMLMNAGAAMAPT
SCHEMBL9059944 0.87 SIGMAR1 (0.48) SIGMAR1ATMMAPK1GRM5LMNA
SCHEMBL9060099 0.86 SIGMAR1 (0.47) SIGMAR1
SCHEMBL9059676 0.86 SIGMAR1 (0.43) SIGMAR1ATMLMNAGAAMAPT
SCHEMBL9311430 0.84 SIGMAR1 (0.41) SIGMAR1ATMCDC7PLK4CHEK1
SCHEMBL9060156 0.84 SIGMAR1 (0.41) SIGMAR1ATMCDC7PLK4CHEK1
SCHEMBL9059741 0.84 CYP46A1 (0.42) SIGMAR1ATMCDC7PLK4CHEK1
SCHEMBL9059465 0.84 SIGMAR1 (0.45) SIGMAR1OPRK1
SCHEMBL9060426 0.84 SIGMAR1 (0.42) SIGMAR1SMN1; SMN2OPRK1

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 7 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
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US 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
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