SCHEMBL7424809

SCHEMBL7424809

[CH2]CCCc1ccc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.40
GRM2 Q14416 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLS O94925 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
PLAU P00749 1/20 0.32
MBOAT4 Q96T53 1/20 0.32
RAB9A P51151 4/20 0.32
NPC1 O15118 3/20 0.31
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL7433897 0.88 GBA1 (0.42) GBA1GRM2KDM4EALDH1A1GLS
SCHEMBL3515320 0.80 CYP11B1 (0.41) GBA1GRM2KDM4EALDH1A1GLS
SCHEMBL10461384 0.80 GBA1 (0.48) GBA1GRM2KDM4EALDH1A1GLS
SCHEMBL14157125 0.79
SCHEMBL2358386 0.78 GBA1 (0.47) GBA1KDM4EALDH1A1ADRA2AADRA2B
SCHEMBL4768617 0.78 ADRA2A (0.39) GBA1GRM2KDM4EALDH1A1GLS
SCHEMBL14127790 0.77 KCNH2 (0.48) GBA1KDM4EALDH1A1ADRA2ARAB9A
SCHEMBL22748383 0.77 KCNH2 (0.48) GBA1KDM4EALDH1A1ADRA2ARAB9A
SCHEMBL9083017 0.77 KCNH2 (0.48) GBA1KDM4EALDH1A1ADRA2ARAB9A
SCHEMBL9082300 0.77 KCNH2 (0.48) GBA1KDM4EALDH1A1ADRA2ARAB9A

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