SCHEMBL18166364

SCHEMBL18166364

CCCn1nccc1CNC(=O)Oc1cc(-c2ccc(C)cc2)cc(-n2nnnc2C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
HPGD P15428 4/20 0.33
CYP2C9 P11712 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
EPHX2 P34913 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
LMNA P02545 2/20 0.30
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HTT P42858 1/20 0.30
NLRP1 Q9C000 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL18166343 0.94 P2RX3 (0.38) P2RX3P2RX2HPGDMAPTLMNA
SCHEMBL18166365 0.91 P2RX3 (0.37) P2RX3P2RX2HPGDMAPTKMT2A
SCHEMBL10244802 0.87 P2RX3 (0.47) P2RX3P2RX2HPGDCYP2C9CYP1A2
SCHEMBL18036448 0.81 P2RX3 (0.35) P2RX3P2RX2HPGDMAPTMEN1
SCHEMBL18166413 0.81 P2RX3 (0.41) P2RX3P2RX2HPGDMAPTALDH1A1
SCHEMBL18166320 0.81 P2RX3 (0.37) P2RX3P2RX2HPGDMAPTLMNA
SCHEMBL18166336 0.80 P2RX3 (0.40) P2RX3P2RX2MAPTKDM4EHTT
SCHEMBL18166368 0.80 P2RX3 (0.47) P2RX3P2RX2MEN1KMT2A
SCHEMBL18166430 0.80 ADORA2A (0.41) P2RX3P2RX2LMNA
SCHEMBL18166376 0.79 P2RX3 (0.39) 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