SCHEMBL18166335

SCHEMBL18166335

CCc1nnnn1-c1cc(OC(=O)NC(C)c2cccnc2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.59
P2RX2 Q9UBL9 1/20 0.59
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GRM1 Q13255 2/20 0.36
ALDH1A1 P00352 3/20 0.36
PTK2 Q05397 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD11B1 P28845 1/20 0.35
TP53 P04637 2/20 0.35
PORCN Q9H237 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL18166293 0.91 P2RX3 (0.57) P2RX3P2RX2ALDH1A1TP53LMNA
SCHEMBL18166331 0.90 P2RX3 (0.53) P2RX3P2RX2TSHRMAPTKDM4E
SCHEMBL18166427 0.90 P2RX3 (0.55) P2RX3P2RX2MAPTALDH1A1NPSR1
SCHEMBL18036312 0.88 P2RX3 (0.57) P2RX3P2RX2MAPTALDH1A1NPSR1
SCHEMBL18166424 0.88 P2RX3 (0.54) P2RX3P2RX2MAPTPTK2LMNA
SCHEMBL18166267 0.88 P2RX3 (0.77) P2RX3P2RX2
SCHEMBL18166326 0.88 P2RX3 (0.77) P2RX3P2RX2
SCHEMBL18166334 0.88 P2RX3 (0.77) P2RX3P2RX2
SCHEMBL18166363 0.87 P2RX3 (0.57) P2RX3P2RX2MAPTALDH1A1NPSR1
SCHEMBL10244554 0.86 P2RX3 (0.77) P2RX3P2RX2GRM1

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