SCHEMBL1662800

SCHEMBL1662800

COc1ccc(N2CCN(C(=O)OCC(C)C)CC2=O)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
RBP4 P02753 1/20 0.39
P2RX7 Q99572 5/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KIT P10721 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
SCHEMBL1663380 0.83 PTGDR2 (0.44) PTGDR2RBP4P2RX7ALDH1A1CYP2C19
SCHEMBL1663277 0.83 PTGDR2 (0.49) PTGDR2ALDH1A1POLBCYP2C19LMNA
SCHEMBL1662724 0.82 CPS1 (0.44) PTGDR2P2RX7ALDH1A1LMNATSHR
SCHEMBL1662799 0.81 NR1H2 (0.41) RBP4P2RX7ALDH1A1LMNAMAPT
SCHEMBL1583489 0.80 SCN9A (0.51) PTGDR2P2RX7ALDH1A1POLBLMNA
SCHEMBL1662961 0.80 P2RX7 (0.42) PTGDR2P2RX7ALDH1A1CYP2C19LMNA
SCHEMBL1583535 0.78 HRH3 (0.49) P2RX7
SCHEMBL3653187 0.77 P2RX7 (0.52) P2RX7ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL1663016 0.76 P2RX7 (0.53) RBP4P2RX7ALDH1A1TSHRMAPT
SCHEMBL1583807 0.75 HRH3 (0.42) PTGDR2P2RX7LMNAMEN1KMT2A

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