SCHEMBL19374806

SCHEMBL19374806

CCCn1c(=O)c2c(nc(Oc3cccc(OC(F)(F)F)c3)n2CC2=CC=C(Cl)CC2)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.62
▸ TRPC5 Q9UL62 2/20 0.62
▸ TRPC1 P48995 1/20 0.62
▸ KCNH2 Q12809 1/20 0.49
▸ NCOA1 Q15788 1/20 0.45
▸ NCOA3 Q9Y6Q9 1/20 0.45
▸ TSHR P16473 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PCSK9 Q8NBP7 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL18834207 0.92 TRPC5 (0.75) TRPC4TRPC5TRPC1KCNH2NCOA1
SCHEMBL16076123 0.85 TRPC5 (0.83) TRPC4TRPC5TRPC1KCNH2NCOA1
SCHEMBL16076257 0.85 TRPC4 (0.72) TRPC4TRPC5TRPC1KCNH2NCOA1
SCHEMBL18021118 0.82 TRPC5 (0.68) TRPC4TRPC5TRPC1KCNH2NCOA1
SCHEMBL16076122 0.81 TRPC5 (0.86) TRPC4TRPC5TRPC1KCNH2TSHR
SCHEMBL16076099 0.80 TRPC5 (0.77) TRPC4TRPC5TRPC1KCNH2NCOA1
SCHEMBL16076015 0.80 TRPC5 (0.85) TRPC4TRPC5TRPC1KCNH2TSHR
SCHEMBL16028691 0.79 TRPC5 (0.72) TRPC4TRPC5TRPC1KCNH2NCOA1
SCHEMBL19375022 0.79 TRPC5 (0.49) TRPC4TRPC5TRPC1KCNH2LMNA
SCHEMBL16028546 0.78 TRPC5 (0.82) TRPC4TRPC5TRPC1KCNH2TSHR

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
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