SCHEMBL18166270

SCHEMBL18166270

CCc1nnnn1-c1cc(OC(=O)NC(C)c2cnccn2)cc(-c2ccc(F)cc2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.55
P2RX2 Q9UBL9 4/20 0.55
KCNK3 O14649 4/20 0.40
WDR5 P61964 1/20 0.35
ACKR3 P25106 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRIN2B Q13224 1/20 0.32
HPGDS O60760 1/20 0.32

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
SCHEMBL18166412 0.94 P2RX3 (0.50) P2RX3P2RX2KCNK3WDR5ACKR3
SCHEMBL18166406 0.93 P2RX3 (0.56) P2RX3P2RX2KCNK3HPGDS
SCHEMBL18166415 0.93 P2RX3 (0.56) P2RX3P2RX2KCNK3ACKR3KCNH2
SCHEMBL18166276 0.92 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL18166358 0.90 P2RX3 (0.44) P2RX3P2RX2KCNK3WDR5ACKR3
SCHEMBL18166442 0.90 P2RX3 (0.55) P2RX3P2RX2KCNK3HPGDS
SCHEMBL10243450 0.88 P2RX3 (0.71) P2RX3P2RX2KCNK3
SCHEMBL18166355 0.87 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL18166423 0.87 P2RX3 (0.40) P2RX3P2RX2KCNK3WDR5ACKR3
SCHEMBL18166388 0.87 P2RX3 (0.55) 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