SCHEMBL19375009

SCHEMBL19375009

Cn1c(=O)n(CCCO)c(=O)c2c1nc(OCCOc1cccc(OCF)c1)n2Cc1ccc(Cl)cn1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 8/20 0.58
TRPC4 Q9UBN4 2/20 0.58
KCNH2 Q12809 1/20 0.58
TRPC1 P48995 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL16028519 0.92 TRPC5 (0.70) TRPC5TRPC4KCNH2TRPC1SMN1; SMN2
SCHEMBL16028293 0.86 TRPC5 (0.71) TRPC5TRPC4KCNH2TRPC1SMN1; SMN2
SCHEMBL30171214 0.85 TRPC5 (0.55) TRPC5TRPC4KCNH2TRPC1SMN1; SMN2
SCHEMBL16028973 0.85 TRPC5 (0.55) TRPC5TRPC4KCNH2TRPC1SMN1; SMN2
SCHEMBL16028192 0.85 TRPC5 (0.55) TRPC5TRPC4KCNH2TRPC1SMN1; SMN2
SCHEMBL30171354 0.85 TRPC5 (0.80) TRPC5TRPC4KCNH2TRPC1SMN1; SMN2
SCHEMBL16028521 0.85 TRPC5 (0.80) TRPC5TRPC4KCNH2TRPC1SMN1; SMN2
SCHEMBL16076220 0.85 TRPC5 (0.60) TRPC5TRPC4KCNH2TRPC1SMN1; SMN2
SCHEMBL16028337 0.84 TRPC5 (0.69) TRPC5TRPC4KCNH2TRPC1SMN1; SMN2
SCHEMBL16027658 0.84 TRPC5 (0.81) TRPC5TRPC4KCNH2TRPC1LMNA

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