SCHEMBL16363496

SCHEMBL16363496

CN(C)CCn1c(=O)c2c(nc(CCc3cccc(OC(F)(F)F)c3)n2Cc2ccc(Cl)cc2)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 6/20 0.62
▸ TRPC4 Q9UBN4 2/20 0.62
▸ TRPC1 P48995 1/20 0.62
▸ KCNH2 Q12809 1/20 0.50
▸ PCSK9 Q8NBP7 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ NPSR1 Q6W5P4 4/20 0.49
▸ HIF1A Q16665 2/20 0.46
▸ HTT P42858 2/20 0.45
▸ P2RX3 P56373 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALOX12 P18054 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
SCHEMBL16364002 0.90 TRPC5 (0.77) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16364025 0.89 TRPC5 (0.74) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16364028 0.88 TRPC5 (0.73) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16076200 0.87 TRPC5 (0.81) TRPC5TRPC4TRPC1KCNH2PCSK9
Hydrochloric Acid SCHEMBL16028751 0.86 TRPC5 (0.79) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16028577 0.85 TRPC5 (0.68) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL18834846 0.85 TRPC5 (0.59) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16364254 0.85 TRPC5 (0.60) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL19498669 0.84 TRPC5 (0.68) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16076046 0.82 TRPC5 (0.76) TRPC5TRPC4TRPC1KCNH2PCSK9

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-2014143799-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-12-24 — — WO disclosed
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