SCHEMBL18166331

SCHEMBL18166331

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.53
P2RX2 Q9UBL9 1/20 0.53
ROCK2 O75116 3/20 0.36
DHPS P49366 1/20 0.35
PTK2 Q05397 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
HSD11B1 P28845 1/20 0.34
PORCN Q9H237 1/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
GRM1 Q13255 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33

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
SCHEMBL18166335 0.90 P2RX3 (0.59) P2RX3P2RX2PTK2TDP1HSD11B1
SCHEMBL10244599 0.87 P2RX3 (0.68) P2RX3P2RX2ROCK2DHPSMAPK1
SCHEMBL18036457 0.84 P2RX3 (0.53) P2RX3P2RX2MAPTGAAALDH1A1
SCHEMBL18036400 0.84 P2RX3 (0.53) P2RX3P2RX2MAPTGAAALDH1A1
SCHEMBL18166332 0.83 EPHX1 (0.52) P2RX3P2RX2POLBKDM4EMAPT
SCHEMBL18166293 0.82 P2RX3 (0.57) P2RX3P2RX2ROCK2MAPK1ALDH1A1
SCHEMBL18036359 0.82 P2RX3 (0.52) P2RX3P2RX2MAPTGAAALDH1A1
SCHEMBL18036312 0.82 P2RX3 (0.57) P2RX3P2RX2MAPTALDH1A1NPSR1
SCHEMBL18166334 0.81 P2RX3 (0.77) P2RX3P2RX2
SCHEMBL18166326 0.81 P2RX3 (0.77) 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