SCHEMBL7569692

SCHEMBL7569692

O=C(NCCCc1c[nH]cn1)N(S)CCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.60
SSTR2 P30874 16/20 0.59
SSTR4 P31391 16/20 0.59
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CHRM5 P08912 1/20 0.56
ADRA2A P08913 1/20 0.56
MAPT P10636 1/20 0.56
CHRM1 P11229 1/20 0.56
ALOX12 P18054 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
FPR1 P21462 1/20 0.56
DRD1 P21728 1/20 0.56
DRD5 P21918 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1D P25100 1/20 0.56
HTR1B P28222 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56

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
SCHEMBL7539174 0.99 GBA1 (0.61) GBA1SSTR2SSTR4MEN1ALDH1A1
SCHEMBL7537458 0.95 SSTR2 (0.60) GBA1SSTR2SSTR4MEN1ALDH1A1
SCHEMBL7418623 0.87 SSTR4 (0.76) GBA1SSTR2SSTR4MEN1ALDH1A1
SCHEMBL7421644 0.86 SSTR4 (0.75) GBA1SSTR2SSTR4MEN1ALDH1A1
SCHEMBL6035414 0.86 SSTR4 (0.75) GBA1SSTR2SSTR4MEN1ALDH1A1
SCHEMBL7420602 0.84 SSTR4 (0.75) GBA1SSTR2SSTR4MEN1ALDH1A1
SCHEMBL7538720 0.83 SSTR2 (0.59) GBA1SSTR2SSTR4MEN1ALDH1A1
SCHEMBL7420143 0.83 SSTR4 (0.75) GBA1SSTR2SSTR4MEN1ALDH1A1
SCHEMBL7563475 0.81 SSTR4 (0.75) GBA1SSTR2SSTR4MEN1ALDH1A1
SCHEMBL7417784 0.79 SSTR4 (0.74) GBA1SSTR2SSTR4MEN1ALDH1A1

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-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