SCHEMBL3726338

SCHEMBL3726338

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.41
TLR2 O60603 2/20 0.41
DPP7 Q9UHL4 1/20 0.40
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
IDO1 P14902 1/20 0.32
HTR2C P28335 1/20 0.32
CTSC P53634 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL16586013 0.86 PRCP (0.41) PRCPTLR2DPP7CYP3A4CYP2D6
SCHEMBL16586012 0.86 PRCP (0.41) PRCPTLR2DPP7CYP3A4CYP2D6
SCHEMBL14887236 0.80 PRCP (0.44) PRCPTLR2DPP7NOS2NOS3
SCHEMBL14887225 0.80 PRCP (0.44) PRCPTLR2DPP7NOS2NOS3
SCHEMBL14887354 0.80 PRCP (0.44) PRCPTLR2DPP7NOS2NOS3
SCHEMBL21105823 0.77 PRCP (0.56) PRCPTLR2DPP7
SCHEMBL24587253 0.76 TLR2 (0.40) PRCPTLR2DPP7NOS2NOS3
SCHEMBL27114716 0.76 TLR2 (0.40) PRCPTLR2DPP7NOS2NOS3
SCHEMBL10955255 0.76 NOS2 (0.41) PRCPTLR2DPP7NOS2NOS3
SCHEMBL7782161 0.75 PRCP (0.41) PRCPTLR2DPP7NOS2NOS3

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
US-7824532-B2 Apparatus and method for electrophoresis Life Technologies Corporation (US) 2010-11-02 US claimed