SCHEMBL18036366

SCHEMBL18036366

CCOCc1nnnn1-c1cc(OC(=O)NC(C)CO)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.45
P2RX2 Q9UBL9 4/20 0.45
GAA P10253 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL18036306 0.91 P2RX3 (0.44) P2RX3P2RX2
SCHEMBL18036358 0.91 P2RX3 (0.44) P2RX3P2RX2
SCHEMBL18036351 0.91 P2RX3 (0.44) P2RX3P2RX2GAATRPV1LMNA
SCHEMBL18036400 0.91 P2RX3 (0.53) P2RX3P2RX2GAATRPV1LMNA
SCHEMBL18036457 0.91 P2RX3 (0.53) P2RX3P2RX2GAATRPV1LMNA
SCHEMBL18036445 0.90 P2RX3 (0.47) P2RX3P2RX2GAATRPV1LMNA
SCHEMBL18036381 0.88 P2RX3 (0.45) P2RX3P2RX2GAATRPV1LMNA
SCHEMBL18036397 0.88 P2RX3 (0.45) P2RX3P2RX2GAATRPV1LMNA
SCHEMBL10244019 0.87 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL10244035 0.87 P2RX3 (0.57) 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-2592070-B1 Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2016-08-31 EP claimed