SCHEMBL21894038

SCHEMBL21894038

Cn1nc2c(c1-c1ccc(OC(F)(F)F)cc1)CCN(C(=O)c1ccc3ncccc3c1)C2

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 13/20 0.46
▸ P2RX7 Q99572 6/20 0.46
▸ NAMPT P43490 1/20 0.42

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
SCHEMBL21893622 0.92 P2RX7 (0.47) MGLLP2RX7
SCHEMBL21893715 0.89 P2RX7 (0.50) MGLLP2RX7
SCHEMBL21893850 0.89 MGLL (0.46) MGLLP2RX7NAMPT
SCHEMBL21818705 0.87 MGLL (0.56) MGLLP2RX7
SCHEMBL21893738 0.85 P2RX7 (0.50) MGLLP2RX7
SCHEMBL21819385 0.85 MGLL (0.58) MGLLP2RX7NAMPT
SCHEMBL21893677 0.85 P2RX7 (0.51) MGLLP2RX7
SCHEMBL21894510 0.85 P2RX7 (0.47) MGLLP2RX7
SCHEMBL21893581 0.84 MGLL (0.59) MGLL
SCHEMBL21894047 0.84 P2RX7 (0.49) MGLLP2RX7NAMPT

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-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — WO disclosed
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