SCHEMBL20005028

SCHEMBL20005028

CCC(N)CC(N)CC(N)CC(N)CC

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A4 P31645 2/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
LAP3 P28838 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
SCHEMBL16843594 0.96
SCHEMBL10588655 0.96
SCHEMBL13777020 0.87 ALDH1A1 (0.45) ANPEPERAP2ERAP1TSHRALDH1A1
SCHEMBL799854 0.87 ALDH1A1 (0.45) ANPEPERAP2ERAP1TSHRALDH1A1
SCHEMBL6831604 0.85 ANPEP (0.31) ANPEPERAP2ERAP1
SCHEMBL28111020 0.83
SCHEMBL28228499 0.83
SCHEMBL27961444 0.81
SCHEMBL13966050 0.81 ALDH1A1 (0.35) ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL14144508 0.81 ALDH1A1 (0.39) TSHRALDH1A1MAPK1

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-2766520-B1 MATERIALS CONTAINING IMMOBILISED POLYELECTROLYTES DTNW DEUTSCHES TEXTILFORSCHUNGSZENTRUM NORD WEST GEMEINNUETZIGE GMBH (DE) 2018-03-28 EP disclosed