SCHEMBL1662961

SCHEMBL1662961

Cc1ccc(N2CCN(C(=O)OCC(C)C)CC2=O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SCN9A Q15858 1/20 0.38

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
SCHEMBL1662724 0.87 CPS1 (0.44) P2RX7L3MBTL1MAPTALDH1A1NPC1
SCHEMBL1583489 0.85 SCN9A (0.51) P2RX7MAPTALDH1A1LMNATSHR
SCHEMBL1663380 0.82 PTGDR2 (0.44) P2RX7MAPTALDH1A1LMNAHPGD
SCHEMBL1662960 0.81 P2RX7 (0.44) P2RX7MAPTLMNAGPR119
SCHEMBL3653187 0.80 P2RX7 (0.52) P2RX7MAPTALDH1A1LMNATSHR
SCHEMBL1662800 0.80 PTGDR2 (0.44) P2RX7MAPTALDH1A1LMNATSHR
SCHEMBL1583535 0.78 HRH3 (0.49) P2RX7
SCHEMBL1583807 0.78 HRH3 (0.42) P2RX7LMNAMEN1KMT2APTGDR2
SCHEMBL3654102 0.78 P2RX7 (0.51) P2RX7ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1583729 0.78 PTGDR2 (0.39) P2RX7MAPTALDH1A1LMNAHPGD

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
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed