SCHEMBL17425939

SCHEMBL17425939

O=P(c1ccccc1)(c1ccc(-c2ccc([PH](I)(c3ccccc3)c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc2)cc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
PDE6D O43924 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
SCHEMBL13781040 0.88 FAAH (0.39) P2RX4FAAHMGLLPDE6D
SCHEMBL24002957 0.85 P2RX4 (0.40) P2RX4FAAHMGLL
SCHEMBL30486830 0.85 P2RX4 (0.40) P2RX4FAAHMGLL
SCHEMBL24002958 0.85 P2RX4 (0.40) P2RX4FAAHMGLL
SCHEMBL22522870 0.83 P2RX4 (0.41) P2RX4
SCHEMBL13832911 0.77 PDE6D (0.36) P2RX4FAAHMGLLPDE6D
SCHEMBL18179955 0.75 FAAH (0.47) P2RX4FAAHMGLLPDE6D
SCHEMBL13827312 0.75 FAAH (0.47) P2RX4FAAHMGLLPDE6D
SCHEMBL6123854 0.75 P2RX4 (0.42) P2RX4FAAHMGLLPDE6D
SCHEMBL24238240 0.74 CYP2C9 (0.37) P2RX4

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
EP-2024465-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-01-13 EP disclosed