SCHEMBL16701732

SCHEMBL16701732

CC1(C)OC(=O)C(C(=O)C2CCNCC2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
PMP22 Q01453 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
BACE1 P56817 1/20 0.37
MEN1 O00255 1/20 0.35

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
SCHEMBL7993286 0.88 BACE1 (0.41) BACE1
SCHEMBL1403152 0.84 BACE1 (0.40) BACE1
SCHEMBL1403176 0.84 BACE1 (0.40) BACE1
SCHEMBL7992161 0.83 BACE1 (0.39) TSHRBACE1KMT2A
SCHEMBL16702405 0.81 BACE1 (0.37) BACE1PLG
SCHEMBL695478 0.81 BACE1 (0.38) BACE1
SCHEMBL16197279 0.76 MAPT (0.37) BACE1
SCHEMBL16701535 0.75 BACE1 (0.37) BACE1
SCHEMBL1018668 0.75 BACE1 (0.41) BACE1
SCHEMBL17737822 0.74 PLG (0.44) BACE1PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066100-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2015067549-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 WO disclosed