SCHEMBL7429803

SCHEMBL7429803

[CH2]CNCc1ccccc1-c1ncc(Br)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
PKM P14618 2/20 0.36
SCN8A Q9UQD0 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
HTT P42858 1/20 0.33
AKT1 P31749 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
CHRM2 P08172 1/20 0.31
LMNA P02545 1/20 0.31
MC4R P32245 1/20 0.31

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
SCHEMBL27808849 0.69 ALDH1A1 (0.47) MAPTSMN1; SMN2ALDH1A1ATMAKT1
SCHEMBL4624215 0.68 CHRM2 (0.60) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL12973187 0.67 SMN1; SMN2 (0.45) MAPTKMT2AMEN1PKMSMN1; SMN2
SCHEMBL30874142 0.67 SMN1; SMN2 (0.45) MAPTKMT2AMEN1PKMSMN1; SMN2
SCHEMBL18136474 0.67 DYRK1B (0.46) MAPTKMT2AMEN1PKMSMN1; SMN2
SCHEMBL20399577 0.66 PTPN11 (0.40) S1PR1S1PR3CYP2D6
SCHEMBL22686569 0.64 MAPT (0.41) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4391328 0.63 KDM4E (0.54) MAPTKMT2AMEN1PKMSMN1; SMN2
SCHEMBL7751879 0.62 ALDH1A1 (0.40) MAPTKMT2AMEN1PKMSMN1; SMN2
SCHEMBL10472664 0.62 SMN1; SMN2 (0.47) MAPTSMN1; SMN2ALDH1A1HTTNPC1

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
EP-0448765-B1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1994-08-17 EP claimed
EP-0448765-A1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1991-10-02 EP claimed
EP-0448765-B1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1994-08-17 EP disclosed
EP-0448765-A1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1991-10-02 EP disclosed