SCHEMBL8525622

SCHEMBL8525622

S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1c[nH]nn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 19/20 0.68
SSTR2 P30874 15/20 0.68
GBA1 P04062 3/20 0.62
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CHRM5 P08912 1/20 0.58
ADRA2A P08913 1/20 0.58
MAPT P10636 1/20 0.58
CHRM1 P11229 1/20 0.58
ALOX12 P18054 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
FPR1 P21462 1/20 0.58
DRD1 P21728 1/20 0.58
DRD5 P21918 1/20 0.58
SLC6A2 P23975 1/20 0.58
ADRA1D P25100 1/20 0.58
HTR1B P28222 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58

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
SCHEMBL8167541 0.82 SSTR4 (0.76) SSTR4SSTR2GBA1MEN1ALDH1A1
SCHEMBL7417784 0.81 SSTR4 (0.74) SSTR4SSTR2GBA1MEN1ALDH1A1
SCHEMBL7420183 0.80 SSTR4 (1.00) SSTR4SSTR2GBA1MEN1ALDH1A1
SCHEMBL7420602 0.79 SSTR4 (0.75) SSTR4SSTR2GBA1MEN1ALDH1A1
SCHEMBL8186195 0.79 SSTR4 (0.74) SSTR4SSTR2GBA1MEN1ALDH1A1
SCHEMBL8178889 0.78 SSTR4 (0.75) SSTR4SSTR2GBA1MEN1ALDH1A1
SCHEMBL8175064 0.77 SSTR4 (1.00) SSTR4SSTR2GBA1MEN1ALDH1A1
SCHEMBL7421025 0.77 SSTR4 (1.00) SSTR4SSTR2GBA1MEN1ALDH1A1
SCHEMBL7424609 0.76 SSTR4 (1.00) SSTR4SSTR2GBA1MEN1ALDH1A1
SCHEMBL6035414 0.76 SSTR4 (0.75) SSTR4SSTR2GBA1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937065-A1 CONSTRAINED SOMATOSTATIN AGONISTS AND ANTAGONISTS NOVO NORDISK A/S (DK) 1999-08-25 EP claimed
WO-1998018786-A1 CONSTRAINED SOMATOSTATIN AGONISTS AND ANTAGONISTS NOVO NORDISK A/S (DK) 1998-05-07 WO claimed