SCHEMBL18166385

SCHEMBL18166385

Cc1ccc(-c2cc(OC(=O)NC(C)c3cncnc3)cc(-n3nnnc3C(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 11/20 0.41
P2RX2 Q9UBL9 11/20 0.41
PHGDH O43175 1/20 0.35
NR3C1 P04150 1/20 0.33
GPR139 Q6DWJ6 2/20 0.33
ALDH1A1 P00352 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
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
TACR1 P25103 1/20 0.31
ACACB O00763 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
LMNA P02545 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
SCHEMBL18166279 0.87 P2RX3 (0.42) P2RX3P2RX2PHGDHGPR139HSP90AA1
SCHEMBL18166338 0.87 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL10243844 0.86 P2RX3 (0.55) P2RX3P2RX2PHGDH
SCHEMBL18166396 0.85 P2RX3 (0.39) P2RX3P2RX2ALDH1A1HSP90AA1MAPT
SCHEMBL18036311 0.85 P2RX3 (0.39) P2RX3P2RX2ALDH1A1HSP90AA1MAPT
SCHEMBL18166411 0.84 P2RX3 (0.41) P2RX3P2RX2PHGDHGPR139HSP90AA1
SCHEMBL18166297 0.84 P2RX3 (0.41) P2RX3P2RX2PHGDHGPR139HSP90AA1
SCHEMBL18166403 0.84 P2RX3 (0.41) P2RX3P2RX2PHGDHGPR139HSP90AA1
SCHEMBL18036323 0.83 P2RX3 (0.38) P2RX3P2RX2
SCHEMBL18036394 0.83 P2RX3 (0.38) 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