SCHEMBL7430372

SCHEMBL7430372

N=C(N)N(CCCc1c[nH]cn1)CCNc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
CYP1A2 P05177 1/20 0.40
APP P05067 1/20 0.33
GAA P10253 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CXCR4 P61073 1/20 0.32
CTSK P43235 1/20 0.32
KCNH2 Q12809 1/20 0.32
NOS1 P29475 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
FABP1 P07148 1/20 0.32
FABP6 P51161 1/20 0.32
SSTR4 P31391 1/20 0.31
CYP2D6 P10635 1/20 0.31
DRD2 P14416 2/20 0.31
ADRA1A P35348 2/20 0.31
DRD3 P35462 2/20 0.31
ITGB3 P05106 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
Hydrochloric Acid SCHEMBL7429034 0.99 CYP2C19 (0.41) CYP2C19CYP1A2APPGAANPC1
SCHEMBL7287544 0.85 HRH1 (0.41) CYP2C19CYP1A2
SCHEMBL9828162 0.78 FFAR1 (0.41) CYP2C19CYP2D6
Gapromidine SCHEMBL1818477 0.78 CYP1A2 (0.44) CYP2C19CYP1A2APPGAARAB9A
SCHEMBL9828326 0.78 HRH4 (0.33) KCNH2ALDH1A1
SCHEMBL2391915 0.77 CYP1A2 (0.66) CYP2C19CYP1A2APPNPC1RAB9A
Hydrochloric Acid SCHEMBL9828346 0.77 FFAR1 (0.40) CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL9827568 0.77 GRIN2D (0.33) KCNH2ALDH1A1
SCHEMBL7433406 0.77 PTGDR2 (0.37) CYP2C19RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7428983 0.76 PTGDR2 (0.36) CYP2C19RAB9AALDH1A1

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