SCHEMBL9059856

SCHEMBL9059856

CN1CCN(C(=N)Nc2ccccc2-c2cccc(F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.53
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
QPCT Q16769 2/20 0.41

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
SCHEMBL9536114 0.88 CHRM3 (0.47) CHRM3DRD2DRD4DRD3ALDH1A1
SCHEMBL9059781 0.85 CHRM3 (0.53) CHRM3ALDH1A1KDM4EHSD17B10
SCHEMBL9059673 0.84 CHRM3 (0.49) CHRM3DRD2DRD4DRD3ALDH1A1
SCHEMBL9059333 0.84 CHRM3 (0.52) CHRM3DRD2DRD4DRD3KDM4E
SCHEMBL9059940 0.84 CHRM3 (0.48) CHRM3DRD2DRD4DRD3ALDH1A1
SCHEMBL9059409 0.82 CHRM3 (0.47) CHRM3ALDH1A1KDM4EHSD17B10KDM1A
SCHEMBL9062891 0.75 POLB (0.47) CHRM3DRD2DRD4DRD3QPCT
SCHEMBL9538982 0.75 CHRM3 (0.47) CHRM3ALDH1A1KDM4EHSD17B10KDM1A
SCHEMBL9059597 0.74 CHRM3 (0.50) CHRM3ALDH1A1
SCHEMBL9059166 0.74 CHRM3 (0.52) CHRM3ALDH1A1KDM4EHSD17B10

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 4 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
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