SCHEMBL18166283

SCHEMBL18166283

CC(C)c1nnnn1-c1cc(OC(=O)NC(C)c2cnccn2)cc(-c2ccc(Cl)cc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.42
P2RX2 Q9UBL9 7/20 0.42
P2RX7 Q99572 1/20 0.34
HPGDS O60760 1/20 0.33
TGFBR1 P36897 1/20 0.31
KCNK3 O14649 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
SCHEMBL18166402 0.92 P2RX3 (0.43) P2RX3P2RX2HPGDSKCNK3
SCHEMBL18166428 0.92 P2RX3 (0.44) P2RX3P2RX2P2RX7HPGDS
SCHEMBL18166349 0.92 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL18166380 0.92 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL18166442 0.90 P2RX3 (0.55) P2RX3P2RX2P2RX7HPGDSKCNK3
SCHEMBL18166304 0.89 P2RX3 (0.51) P2RX3P2RX2HPGDS
SCHEMBL18166341 0.89 P2RX3 (0.51) P2RX3P2RX2HPGDS
SCHEMBL10244289 0.88 P2RX3 (0.56) P2RX3P2RX2
SCHEMBL18166271 0.87 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL18166268 0.86 P2RX3 (0.49) 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