SCHEMBL5141998

SCHEMBL5141998

CC(C)(O)c1ccccc1.CCCCCNC1CNCCO1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.43
SSTR4 P31391 3/20 0.35
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL8557057 0.80 GNAI3 (0.47)
SCHEMBL11794036 0.80 GNAI3 (0.47)
Bromide SCHEMBL28185708 0.79 GNAI3 (0.46)
Bromide SCHEMBL28185105 0.79 GNAI3 (0.46)
Bromide SCHEMBL29089345 0.79 GNAI3 (0.46)
Hydrazine SCHEMBL8557307 0.77 GNAI3 (0.45)
SCHEMBL27690567 0.72 SLC6A2 (0.47) SLC6A2ADRB2SLC6A4SLC6A3
SCHEMBL6028682 0.71 KCNH2 (0.34) SLC6A2ADRB2HTR1AHTR2ASLC6A4
SCHEMBL372823 0.71
SCHEMBL18284760 0.68 SLC6A2 (0.63) SLC6A2SSTR4ADRB2HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091745-B1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS CHILDREN S HOSPITAL LOS ANGELE (US) 2008-10-01 EP claimed