SCHEMBL856879

SCHEMBL856879

CCCCOC(=O)C(N)CCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 3/20 0.50
RRM1 P23921 1/20 0.49
ALDH1A1 P00352 1/20 0.47
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
NOD1 Q9Y239 1/20 0.45
ATM Q13315 1/20 0.44
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ESR1 P03372 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL10901234 0.94 DPP7 (0.53) DPP7RRM1ALDH1A1DPP8DPP9
SCHEMBL19547625 0.91 NOD1 (0.47) DPP7RRM1ALDH1A1DPP8DPP9
SCHEMBL855574 0.91 NOD1 (0.47) DPP7RRM1ALDH1A1DPP8DPP9
SCHEMBL856465 0.89 GNAI3 (0.51) DPP7RRM1ALDH1A1DPP8DPP9
SCHEMBL2494020 0.89 GNAI3 (0.51) DPP7RRM1ALDH1A1DPP8DPP9
SCHEMBL16330780 0.89 ALDH1A1 (0.47) DPP7RRM1ALDH1A1NOD1ATM
SCHEMBL16330782 0.89 ALDH1A1 (0.47) DPP7RRM1ALDH1A1NOD1ATM
SCHEMBL1097461 0.88 NOD1 (0.50) DPP7ALDH1A1DPP8DPP9NOD1
SCHEMBL4957809 0.88 NOD1 (0.50) DPP7ALDH1A1DPP8DPP9NOD1
SCHEMBL16710358 0.88 ALDH1A1 (0.50) DPP7ALDH1A1DPP8DPP9NOD1

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
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO disclosed
EP-1349956-A2 REPLICABLE PROBE ARRAY SurModics, Inc. (US) 2003-10-08 EP disclosed
WO-2002010450-A2 REPLICABLE PROBE ARRAY SURMODICS, INC. (US) 2002-02-07 WO disclosed
WO-2002000614-A1 ARYL COMPOUNDS, THEIR PREPARATION AND THEIR USE IN THERAPY RIBOTARGETS LIMITED (GB) 2002-01-03 WO disclosed