SCHEMBL9536765

SCHEMBL9536765

CCN1CCN(C(=N)Nc2ccccc2-c2ccccc2)CC1.CSc1ccc(NC(=N)N2CCN(C)CC2)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.44
ALDH1A1 P00352 8/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL9060028 0.91 MAPT (0.45) CHRM3ALDH1A1HPGDMAPTKDM4E
SCHEMBL9059545 0.84 MAPT (0.45) CHRM3ALDH1A1HPGDMAPTKDM4E
SCHEMBL9059993 0.84 CHRM3 (0.57) CHRM3ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL9059781 0.81 CHRM3 (0.53) CHRM3ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL9059684 0.79 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHSD17B10GAA
SCHEMBL9059638 0.78 MEN1 (0.38) CHRM3ALDH1A1MAPTKMT2AMEN1
SCHEMBL9536114 0.76 CHRM3 (0.47) CHRM3ALDH1A1MAPTKDM4EKMT2A
SCHEMBL9059166 0.76 CHRM3 (0.52) CHRM3ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9059333 0.75 CHRM3 (0.52) CHRM3KDM4E
SCHEMBL9059302 0.74 MAPK1 (0.52) CHRM3ALDH1A1MAPTKMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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