SCHEMBL4710641

SCHEMBL4710641

O=C(OCc1ccccc1)N1CCCCCCCCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
NPSR1 Q6W5P4 3/20 0.69
SMN1; SMN2 Q16637 5/20 0.68
NPC1 O15118 4/20 0.68
RAB9A P51151 3/20 0.68
CYP2C19 P33261 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.54
GRIN2B Q13224 3/20 0.53
HTT P42858 1/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.51
TMEM97 Q5BJF2 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50

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
SCHEMBL6557909 1.00 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL794423 1.00 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29927440 0.98 MEN1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL27499702 0.98 MEN1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7424105 0.98 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1000788 0.98 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL27804056 0.97 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Hydrogen Sulfide SCHEMBL28243160 0.97 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Methylene Chloride SCHEMBL28167523 0.95 MEN1 (0.64) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5109854 0.95 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706154-A4 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO SPA (IT) 2008-11-26 EP disclosed
EP-1706154-A1 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS Bracco Imaging, S.P.A. (IT) 2006-10-04 EP disclosed
WO-2005067983-A1 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2005-07-28 WO disclosed