SCHEMBL18166285

SCHEMBL18166285

CCc1nnnn1-c1cc(OC(=O)NC(C)c2cn(C)nc2C)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.50
P2RX2 Q9UBL9 1/20 0.50
KMT2A Q03164 2/20 0.34
TRPV1 Q8NER1 1/20 0.32
LMNA P02545 5/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.30
FAAH O00519 1/20 0.30
MGLL Q99685 1/20 0.30
POLB P06746 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
SCHEMBL18166382 0.86 P2RX3 (0.51) P2RX3P2RX2KMT2ATRPV1LMNA
SCHEMBL18166344 0.85 P2RX3 (0.50) P2RX3P2RX2TRPV1LMNAMAPT
SCHEMBL18166293 0.83 P2RX3 (0.57) P2RX3P2RX2KMT2ATRPV1LMNA
SCHEMBL18036400 0.83 P2RX3 (0.53) P2RX3P2RX2TRPV1LMNAMAPT
SCHEMBL18036457 0.83 P2RX3 (0.53) P2RX3P2RX2TRPV1LMNAMAPT
SCHEMBL18166372 0.83 P2RX3 (0.53) P2RX3P2RX2TRPV1LMNAMAPT
SCHEMBL18166318 0.82 P2RX3 (0.50) P2RX3P2RX2TRPV1LMNAMAPT
SCHEMBL18036408 0.81 P2RX3 (0.52) P2RX3P2RX2
SCHEMBL18036332 0.81 P2RX3 (0.52) P2RX3P2RX2
SCHEMBL18036359 0.81 P2RX3 (0.52) P2RX3P2RX2TRPV1LMNAMAPT

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