SCHEMBL9059897

SCHEMBL9059897

N=C(Nc1ccccc1-c1ccccc1)N1CCC(O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ATM Q13315 2/20 0.49
TSHR P16473 2/20 0.47
CHRM3 P20309 8/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
GAA P10253 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL9059243 0.93 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL9059607 0.89 CHRM3 (0.47) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL9059939 0.87 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL9060090 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL9059673 0.86 CHRM3 (0.49) ALDH1A1MEN1KMT2AATMCHRM3
SCHEMBL9060408 0.85 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL9059576 0.85 CHRM3 (0.44) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL9060154 0.84 CHRM3 (0.47) ALDH1A1MEN1KMT2ACHRM3CHRM2
SCHEMBL9059738 0.84 CHRM3 (0.50) ALDH1A1MEN1KMT2AATMCHRM3
SCHEMBL9311426 0.84 CHRM3 (0.51) CHRM3CHRM2CHRM1

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
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
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