SCHEMBL18166368

SCHEMBL18166368

Cc1ccc(-c2cc(OC(=O)NCc3cnccn3)cc(-n3nnnc3C(C)C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.47
P2RX2 Q9UBL9 6/20 0.47
EPHX1 P07099 1/20 0.35
HPGDS O60760 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL18166446 0.89 P2RX3 (0.45) P2RX3P2RX2
SCHEMBL18166398 0.87 P2RX3 (0.57) P2RX3P2RX2EPHX1HPGDSMEN1
SCHEMBL10244362 0.86 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL18166413 0.86 P2RX3 (0.41) P2RX3P2RX2EPHX1L3MBTL1
SCHEMBL18166336 0.85 P2RX3 (0.40) P2RX3P2RX2
SCHEMBL18166376 0.84 P2RX3 (0.39) P2RX3P2RX2EPHX1
SCHEMBL18166432 0.84 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL18166384 0.84 P2RX3 (0.36) P2RX3P2RX2EPHX1
SCHEMBL18166374 0.84 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL18166322 0.84 P2RX3 (0.59) P2RX3P2RX2

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-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed