SCHEMBL1584096

SCHEMBL1584096

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(C2CC=CC2)C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.39
RBP4 P02753 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
ERN1 O75460 1/20 0.30

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
SCHEMBL1584564 0.92 P2RX7 (0.47) P2RX7RBP4TYRO3MERTKERN1
SCHEMBL1583038 0.92 P2RX7 (0.49) P2RX7TYRO3MERTK
SCHEMBL12720597 0.92 P2RX7 (0.48) P2RX7TYRO3MERTK
SCHEMBL12720955 0.92 P2RX7 (0.48) P2RX7TYRO3MERTK
SCHEMBL12720642 0.92 P2RX7 (0.39) P2RX7TYRO3MERTK
SCHEMBL12720664 0.90 P2RX7 (0.40) P2RX7RBP4TYRO3MERTK
SCHEMBL1583571 0.90 P2RX7 (0.41) P2RX7TYRO3MERTK
SCHEMBL12721159 0.90 P2RX7 (0.40) P2RX7TYRO3MERTK
SCHEMBL1583748 0.89 P2RX7 (0.39) P2RX7RBP4TYRO3MERTK
SCHEMBL1583859 0.88 P2RX7 (0.38) P2RX7TYRO3MERTK

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-2011041713-A2 PIPERAZINYL ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-07 WO disclosed