SCHEMBL7433897

SCHEMBL7433897

[CH2]CCc1ccc(Br)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.42
GRM2 Q14416 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
PLAU P00749 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
NPC1 O15118 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
TSHR P16473 1/20 0.32
GLS O94925 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL7424809 0.88 GBA1 (0.40) GBA1GRM2KDM4EALDH1A1ADRA2A
SCHEMBL14157125 0.82
SCHEMBL21552702 0.80 GBA1 (0.44) GBA1GRM2KDM4EALDH1A1ADRA2A
SCHEMBL3231706 0.78 GBA1 (0.52) GBA1GRM2KDM4EALDH1A1ADRA2A
SCHEMBL5650 0.78 GBA1 (0.42) GBA1GRM2KDM4EALDH1A1ADRA2A
SCHEMBL5674 0.78 GBA1 (0.42) GBA1GRM2KDM4EALDH1A1ADRA2A
SCHEMBL31729646 0.78 GBA1 (0.52) GBA1GRM2KDM4EALDH1A1ADRA2A
SCHEMBL20802798 0.78 GBA1 (0.42) GBA1GRM2KDM4EALDH1A1ADRA2A
SCHEMBL165821 0.78 HRH1 (0.47) GBA1GRM2KDM4EALDH1A1ADRA2A
SCHEMBL684128 0.77

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