SCHEMBL20656229

SCHEMBL20656229

C/C=C\C=C(/C)Cn1c(-c2cc(F)cnc2C)nc2c1c(=O)n(CCCOC1CCCCO1)c(=O)n2C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 9/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ GPR119 Q8TDV5 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
SCHEMBL20656222 0.87 P2RX3 (0.34) P2RX3L3MBTL1
SCHEMBL18834301 0.71 P2RX3 (0.40) P2RX3
SCHEMBL20432229 0.71 P2RX3 (0.49) P2RX3
SCHEMBL20656002 0.71 P2RX3 (0.45) P2RX3L3MBTL1
SCHEMBL20656029 0.71 P2RX3 (0.35) P2RX3
SCHEMBL18833745 0.71 P2RX3 (0.38) P2RX3
SCHEMBL16028092 0.70 P2RX3 (0.49) P2RX3
SCHEMBL18834679 0.70 TNF (0.50) P2RX3
SCHEMBL20656191 0.70 CNOT7 (0.38) P2RX3
SCHEMBL16028142 0.70 ALDH1A1 (0.44) P2RX3L3MBTL1

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
WO-2019011802-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-17 — — WO disclosed
Send feedback