SCHEMBL22632015

SCHEMBL22632015

CC(C)(N)CC(C)(C)c1cc(C(C)(C)CC(C)(C)N)c(C(C)(C)CC(C)(C)N)cc1C(C)(C)CC(C)(C)N

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
HRH1 P35367 1/20 0.30
HTR2B P41595 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL22631953 0.80
SCHEMBL19285950 0.80 SHBG (0.35)
SCHEMBL19285946 0.78 SHBG (0.34) SLC6A2TAAR1HTR2ASLC6A4HRH1
SCHEMBL8352192 0.72 SHBG (0.50) SLC6A2TAAR1HTR2ASLC6A4HRH1
SCHEMBL14685564 0.72 TAAR1 (0.39) SLC6A2TAAR1HTR2AHTR2B
SCHEMBL18510155 0.70 TAAR1 (0.41) SLC6A2TAAR1HTR2AHTR2B
SCHEMBL22448845 0.69
SCHEMBL22448853 0.68 TAAR1 (0.39) SLC6A2TAAR1
SCHEMBL2176867 0.67
SCHEMBL23221272 0.67 SHBG (0.45) TAAR1

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-2052011-B1 TARGETED POLYLYSINE DENDRIMER THERAPEUTIC AGENT STARPHARMA PTY LTD (AU) 2020-11-04 EP disclosed