SCHEMBL19375485

SCHEMBL19375485

Cn1c(=O)n(CCCOC2CCCCO2)c(=O)c2c1nc(S(=O)(=O)NC1CC1)n2Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 17/20 0.48
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TRPC1 P48995 1/20 0.42
TRPC4 Q9UBN4 1/20 0.42
TRPC5 Q9UL62 1/20 0.42

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
SCHEMBL16028322 0.92 P2RX3 (0.52) P2RX3LMNAMAPTTRPC1TRPC4
SCHEMBL18834594 0.85 P2RX3 (0.51) P2RX3LMNAMAPTTRPC1TRPC4
SCHEMBL18833876 0.85 P2RX3 (0.53) P2RX3LMNAMAPTTRPC4TRPC5
SCHEMBL18022800 0.85 P2RX3 (0.45) P2RX3LMNAMAPTTRPC1TRPC4
SCHEMBL16364301 0.84 P2RX3 (0.53) P2RX3LMNAMAPT
SCHEMBL16028658 0.84 P2RX3 (0.51) P2RX3LMNAMAPTTRPC4TRPC5
SCHEMBL16028518 0.84 P2RX3 (0.51) P2RX3LMNAMAPTTRPC4TRPC5
SCHEMBL19375417 0.84 P2RX3 (0.52) P2RX3LMNAMAPTTRPC4TRPC5
SCHEMBL16028107 0.84 TSHR (0.54) P2RX3LMNAMAPTTRPC4TRPC5
SCHEMBL16028309 0.84 P2RX3 (0.54) P2RX3MAPT

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-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 EP disclosed