SCHEMBL18834836

SCHEMBL18834836

Cn1c(=O)n(CCCO)c(=O)c2c1nc(OCCCC(F)(F)I)n2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.56
▸ TRPC5 Q9UL62 2/20 0.56
▸ TRPC1 P48995 1/20 0.56
▸ KCNH2 Q12809 1/20 0.54
▸ MAPT P10636 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.49
▸ HTT P42858 2/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ BRAF P15056 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ MAOA P21397 2/20 0.48
▸ MAOB P27338 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ LMNA P02545 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ TSHR P16473 3/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ADORA3 P0DMS8 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL16076113 0.93 TRPC4 (0.57) TRPC4TRPC5TRPC1KCNH2MAPT
SCHEMBL16076115 0.91 TRPC4 (0.57) TRPC4TRPC5TRPC1KCNH2MAPT
SCHEMBL16028400 0.87 TRPC4 (0.59) TRPC4TRPC5TRPC1KCNH2MAPT
SCHEMBL16028800 0.85 TRPC4 (0.61) TRPC4TRPC5TRPC1KCNH2MAPT
SCHEMBL16076116 0.85 TRPC5 (0.66) TRPC4TRPC5TRPC1KCNH2MAPT
SCHEMBL16363898 0.85 SMN1; SMN2 (0.57) TRPC4TRPC5TRPC1KCNH2MAPT
SCHEMBL16028303 0.83 TRPC5 (0.73) TRPC4TRPC5TRPC1KCNH2MAPT
SCHEMBL16076153 0.83 TRPC5 (0.66) TRPC4TRPC5TRPC1KCNH2MAPT
SCHEMBL16028100 0.81 TRPC4 (0.75) TRPC4TRPC5TRPC1KCNH2MAPT
SCHEMBL16028935 0.80 TRPC5 (0.75) TRPC4TRPC5TRPC1KCNH2MAPT

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
Send feedback