SCHEMBL18166372

SCHEMBL18166372

CCc1nnnn1-c1cc(OC(=O)NC(C)c2ccnn2C)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.53
P2RX2 Q9UBL9 1/20 0.53
LMNA P02545 3/20 0.33
TRPV1 Q8NER1 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
PHGDH O43175 1/20 0.31

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
SCHEMBL10244537 0.86 P2RX3 (0.70) P2RX3P2RX2
SCHEMBL18166293 0.85 P2RX3 (0.57) P2RX3P2RX2LMNATRPV1TP53
SCHEMBL18166344 0.84 P2RX3 (0.50) P2RX3P2RX2LMNATRPV1MAPT
SCHEMBL18036400 0.83 P2RX3 (0.53) P2RX3P2RX2LMNATRPV1MAPT
SCHEMBL18036457 0.83 P2RX3 (0.53) P2RX3P2RX2LMNATRPV1MAPT
SCHEMBL18166427 0.83 P2RX3 (0.55) P2RX3P2RX2LMNATRPV1MAPT
SCHEMBL18166400 0.83 P2RX3 (0.61) P2RX3P2RX2LMNAMAPTTP53
SCHEMBL18166335 0.83 P2RX3 (0.59) P2RX3P2RX2LMNAMAPTTP53
SCHEMBL18166363 0.83 P2RX3 (0.57) P2RX3P2RX2LMNATRPV1MAPT
SCHEMBL18166326 0.83 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