SCHEMBL18833874

SCHEMBL18833874

Cn1c(=O)c2c(nc(Cc3cccc(OC(F)(F)F)c3)n2Cc2ccc(Cl)cc2)n(CCO)c1=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 6/20 0.59
▸ TRPC4 Q9UBN4 2/20 0.59
▸ TRPC1 P48995 1/20 0.59
▸ PCSK9 Q8NBP7 3/20 0.57
▸ P2RX3 P56373 5/20 0.55
▸ KCNH2 Q12809 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ NPSR1 Q6W5P4 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ GPR18 Q14330 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL19498669 0.93 TRPC5 (0.68) TRPC5TRPC4TRPC1PCSK9P2RX3
SCHEMBL16364254 0.93 TRPC5 (0.60) TRPC5TRPC4TRPC1PCSK9P2RX3
SCHEMBL16076046 0.89 TRPC5 (0.76) TRPC5TRPC4TRPC1PCSK9P2RX3
SCHEMBL30171229 0.89 TRPC5 (0.76) TRPC5TRPC4TRPC1PCSK9P2RX3
SCHEMBL19374971 0.87 TRPC5 (0.71) TRPC5TRPC4TRPC1PCSK9P2RX3
SCHEMBL16027664 0.86 TRPC5 (0.79) TRPC5TRPC4TRPC1PCSK9P2RX3
SCHEMBL19375387 0.82 TRPC5 (0.62) TRPC5TRPC4TRPC1PCSK9P2RX3
SCHEMBL16364002 0.81 TRPC5 (0.77) TRPC5TRPC4TRPC1PCSK9P2RX3
SCHEMBL16364025 0.81 TRPC5 (0.74) TRPC5TRPC4TRPC1PCSK9P2RX3
SCHEMBL16364028 0.80 TRPC5 (0.73) TRPC5TRPC4TRPC1PCSK9P2RX3

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-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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