SCHEMBL7477561

SCHEMBL7477561

N=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Br)cc1)c1ccc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 12/20 0.45
SSTR4 P31391 10/20 0.44
SSTR2 P30874 6/20 0.44
RAD52 P43351 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
MAPT P10636 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX12 P18054 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
FPR1 P21462 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39

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 SCHEMBL7483543 0.99 GBA1 (0.44) GBA1SSTR4SSTR2RAD52MEN1
SCHEMBL7424752 0.85 GBA1 (0.42) GBA1SSTR4SSTR2RAD52MEN1
SCHEMBL7475202 0.85 GBA1 (0.42) GBA1SSTR4SSTR2RAD52MEN1
SCHEMBL7425273 0.85 SSTR4 (0.47) GBA1SSTR4SSTR2RAD52MEN1
SCHEMBL7476252 0.83 SSTR4 (0.61) GBA1SSTR4SSTR2RAD52MEN1
SCHEMBL7429330 0.83 SSTR4 (0.56) GBA1SSTR4SSTR2RAD52MEN1
SCHEMBL7419465 0.81 SSTR4 (0.45) GBA1SSTR4SSTR2RAD52MEN1
SCHEMBL7421016 0.78 SSTR4 (0.71) GBA1SSTR4SSTR2RAD52MEN1
Hydrochloric Acid SCHEMBL7423801 0.77 SSTR4 (0.70) GBA1SSTR4SSTR2RAD52MEN1
SCHEMBL7420533 0.73 SSTR4 (0.75) GBA1SSTR4SSTR2RAD52MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019050-B1 USE OF SOMATOSTATIN AGONISTS AND ANTAGONISTS FOR TREATING DISEASES RELATED TO THE EYE NOVO NORDISK AS (DK) 2002-03-20 EP claimed
US-6159941-A Use of somatostatin agonists and antagonists for treating diseases related to the eye NOVO NORDISK A/S (DK) 2000-12-12 US claimed
US-6127343-A SELECTIVE, COMPETITIVE SOMATOSTATIN RECEPTOR LIGANDS OF NONPEPTIDE ORIGIN, FOR MEDIATING THE BIOLOGICAL EFFECT OF SOMATOSTATIN AGONISTS OR ANTAGONIST NOVO NORDISK A/S (DK) 2000-10-03 US claimed
EP-1019050-A1 USE OF SOMATOSTATIN AGONISTS AND ANTAGONISTS FOR TREATING DISEASES RELATED TO THE EYE NOVO NORDISK A/S (DK) 2000-07-19 EP claimed
WO-1998058646-A1 USE OF SOMATOSTATIN AGONISTS AND ANTAGONISTS FOR TREATING DISEASES RELATED TO THE EYE NOVO NORDISK A/S (DK) 1998-12-30 WO claimed