SCHEMBL18166281

SCHEMBL18166281

Cc1cnc(CNC(=O)Oc2cc(-c3ccc(Cl)cc3F)cc(-n3nnnc3C(C)C)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.41
P2RX2 Q9UBL9 6/20 0.41
FAAH O00519 2/20 0.34
GRM2 Q14416 1/20 0.33
CTSA P10619 1/20 0.33
WDR5 P61964 2/20 0.32
MAP3K5 Q99683 2/20 0.32

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
SCHEMBL18166274 0.92 P2RX3 (0.49) P2RX3P2RX2FAAH
SCHEMBL18166452 0.89 P2RX3 (0.39) P2RX3P2RX2MAP3K5
SCHEMBL10244501 0.88 P2RX3 (0.54) P2RX3P2RX2WDR5
SCHEMBL18166289 0.88 P2RX3 (0.39) P2RX3P2RX2
SCHEMBL18166416 0.87 P2RX3 (0.40) P2RX3P2RX2FAAHGRM2CTSA
SCHEMBL18166390 0.87 P2RX3 (0.50) P2RX3P2RX2FAAH
SCHEMBL18166287 0.86 P2RX3 (0.47) P2RX3P2RX2FAAH
SCHEMBL18166446 0.84 P2RX3 (0.45) P2RX3P2RX2
SCHEMBL18036328 0.81 CNR2 (0.35) P2RX3P2RX2FAAHGRM2
SCHEMBL18036437 0.81 CNR2 (0.35) P2RX3P2RX2FAAHGRM2

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