SCHEMBL9059302

SCHEMBL9059302

N=C(Nc1ccccc1-c1ccccc1)N1CCN(CCO)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRM3 P20309 6/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL9059993 0.86 CHRM3 (0.57) NCOA3ALDH1A1MEN1KMT2AMAPT
SCHEMBL9059781 0.85 CHRM3 (0.53) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL9061351 0.82 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL9311226 0.79 ALDH1A1 (0.63) NCOA3ALDH1A1MEN1KMT2AMAPT
SCHEMBL9059364 0.79 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL9060090 0.79 ALDH1A1 (0.50) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL9059897 0.78 ALDH1A1 (0.49) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL9059105 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL9059434 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL9536114 0.78 CHRM3 (0.47) LMNAALDH1A1MEN1KMT2AMAPT

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 5 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
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