SCHEMBL18166343

SCHEMBL18166343

CCn1nccc1CNC(=O)Oc1cc(-c2ccc(C)cc2)cc(-n2nnnc2C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NLRP1 Q9C000 1/20 0.31
EPHX1 P07099 1/20 0.30
SLC8A1 P32418 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
SCHEMBL18166364 0.94 P2RX3 (0.38) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166365 0.90 P2RX3 (0.37) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166413 0.82 P2RX3 (0.41) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166320 0.82 P2RX3 (0.37) P2RX3P2RX2ABL1SRCMAPT
SCHEMBL18166336 0.81 P2RX3 (0.40) P2RX3P2RX2MAPTHTT
SCHEMBL18166430 0.81 ADORA2A (0.41) P2RX3P2RX2LMNAEPHX1
SCHEMBL10244802 0.81 P2RX3 (0.47) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166368 0.81 P2RX3 (0.47) P2RX3P2RX2EPHX1
SCHEMBL18036448 0.80 P2RX3 (0.35) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166384 0.80 P2RX3 (0.36) P2RX3P2RX2EPHX1

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