SCHEMBL9059102

SCHEMBL9059102

CN=C(N)[N]CCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.49
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
NAAA Q02083 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP2C19 P33261 2/20 0.40
HRH2 P25021 1/20 0.39
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL375097 0.77 HRH1 (0.55) HRH1HRH3LMNAALDH1A1TAAR1
SCHEMBL3581477 0.73 HRH1 (0.55) HRH1HRH3LMNAALDH1A1TAAR1
SCHEMBL7963558 0.73 HRH3 (0.51) HRH1HRH3LMNAALDH1A1TAAR1
SCHEMBL5499742 0.73 HRH1 (0.59) HRH1HRH3LMNAALDH1A1TAAR1
SCHEMBL6219743 0.70 HRH1 (0.55) HRH1HRH3LMNAALDH1A1TAAR1
SCHEMBL10755479 0.70 HTR3A (0.58) HRH1HRH3LMNATAAR1NAAA
SCHEMBL29485678 0.70 HRH1 (0.73) HRH1HRH3LMNAALDH1A1TAAR1
SCHEMBL230753 0.70 HRH1 (0.73) HRH1HRH3LMNAALDH1A1TAAR1
SCHEMBL21122917 0.70 HRH1 (0.55) HRH1HRH3LMNAALDH1A1TAAR1
SCHEMBL12807573 0.69 HRH1 (0.50) HRH1HRH3LMNAALDH1A1TAAR1

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
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 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