SCHEMBL11486295

SCHEMBL11486295

CCOC(=O)CCC(CS)C(=O)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.34
DPP7 Q9UHL4 1/20 0.34
PRCP P42785 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DPP4 P27487 3/20 0.32
DPP8 Q6V1X1 1/20 0.32
SLC6A2 P23975 3/20 0.31
SLC6A3 Q01959 3/20 0.31
SLC6A4 P31645 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
TLR2 O60603 1/20 0.31
TSHR P16473 1/20 0.30
CPN1 P15169 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
SCHEMBL11495504 0.84 DPP7 (0.32) DPP7PRCPDPP4DPP8
SCHEMBL7127502 0.83 PRCP (0.37) CPB2DPP7PRCPDPP4SLC6A2
SCHEMBL11376986 0.83 PRCP (0.37) CPB2DPP7PRCPDPP4SLC6A2
SCHEMBL11433291 0.83 CPN1 (0.38) CPB2DPP7PRCPDPP4DPP8
SCHEMBL11335822 0.81 CPB2 (0.35) CPB2DPP7PRCPCPN1
SCHEMBL11618241 0.81 PRCP (0.38) DPP7PRCPDPP4DPP8SLC6A2
SCHEMBL11432121 0.80 DPP7 (0.32) CPB2DPP7PRCPCPN1
SCHEMBL11434881 0.79 CPN1 (0.35) CPB2DPP7PRCPDPP4DPP8
SCHEMBL11324776 0.79 CPB2 (0.42) CPB2DPP7PRCPDPP4DPP8
SCHEMBL11485912 0.79 PRCP (0.34) CPB2DPP7PRCPKMT2ATLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4198517-A Histidine derivatives E. R. SQUIBB & SONS, INC. (US) 1980-04-15 US disclosed
US-4154736-A Indolylalkylene amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4128721-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-12-05 US disclosed
US-4127729-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-11-28 US disclosed
US-4091024-A Pyrrolidine and piperidine-2-carboxylic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-05-23 US disclosed