SCHEMBL18166403

SCHEMBL18166403

COC(C)c1nnnn1-c1cc(OC(=O)NC(C)c2cncnc2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
PHGDH O43175 1/20 0.35
GPR139 Q6DWJ6 2/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NLRP1 Q9C000 1/20 0.32
VNN1 O95497 2/20 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
SCHEMBL18166297 1.00 P2RX3 (0.41) P2RX3P2RX2PHGDHGPR139LMNA
SCHEMBL18166411 1.00 P2RX3 (0.41) P2RX3P2RX2PHGDHGPR139LMNA
SCHEMBL18166279 0.92 P2RX3 (0.42) P2RX3P2RX2PHGDHGPR139LMNA
SCHEMBL10243787 0.87 P2RX3 (0.55) P2RX3P2RX2PHGDH
SCHEMBL10244468 0.87 P2RX3 (0.55) P2RX3P2RX2PHGDH
SCHEMBL18166273 0.87 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL18036303 0.85 P2RX3 (0.39) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18036389 0.85 P2RX3 (0.39) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18036321 0.85 P2RX3 (0.39) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18166385 0.84 P2RX3 (0.41) P2RX3P2RX2PHGDHGPR139LMNA

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