SCHEMBL9197494

SCHEMBL9197494

CCCCOC(=O)C(CC=O)C1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 2/20 0.36
TLR2 O60603 2/20 0.35
ATM Q13315 1/20 0.35
PRCP P42785 1/20 0.35
DPP7 Q9UHL4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4774438 0.80 SLC6A3 (0.41) SLC6A2SLC6A3SLC6A4ALDH1A1TSHR
SCHEMBL6207732 0.79 PRCP (0.41) SLC6A2SLC6A3SLC6A4TLR2PRCP
SCHEMBL8569265 0.79 PRCP (0.41) SLC6A2SLC6A3SLC6A4TLR2PRCP
SCHEMBL3982507 0.79 PRCP (0.41) SLC6A2SLC6A3SLC6A4TLR2PRCP
SCHEMBL7804926 0.78 SLC6A3 (0.34) SLC6A2SLC6A3SLC6A4
SCHEMBL856505 0.78 SLC6A3 (0.39) SLC6A2SLC6A3SLC6A4TLR2PRCP
SCHEMBL30166189 0.77 SLC6A3 (0.40) SLC6A2SLC6A3SLC6A4TLR2PRCP
SCHEMBL6047342 0.75 SLC6A3 (0.39) SLC6A2SLC6A3SLC6A4ALDH1A1TSHR
SCHEMBL5742756 0.73 ATM (0.47) TLR2ATMPRCPDPP7ALDH1A1
SCHEMBL28063029 0.73 ATM (0.47) TLR2ATMPRCPDPP7ALDH1A1

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-0651749-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-05-10 EP disclosed