SCHEMBL18835375

SCHEMBL18835375

CC1=CNC(Cn2c(Oc3cccc(C(F)(F)F)c3)nc3c2c(=O)n(CCCO)c(=O)n3C)S1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 6/20 0.54
▸ TRPC4 Q9UBN4 2/20 0.54
▸ TRPC1 P48995 1/20 0.54
▸ KCNH2 Q12809 1/20 0.52
▸ LMNA P02545 1/20 0.43
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ ADORA1 P30542 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ THRB P10828 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL18834235 0.95 TRPC5 (0.53) TRPC5TRPC4TRPC1KCNH2LMNA
SCHEMBL18834023 0.90 TRPC5 (0.54) TRPC5TRPC4TRPC1KCNH2LMNA
SCHEMBL18834524 0.90 TRPC5 (0.55) TRPC5TRPC4TRPC1KCNH2LMNA
SCHEMBL19374870 0.85 NCOA3 (0.50) TRPC5TRPC4TRPC1KCNH2LMNA
SCHEMBL18835105 0.84 TRPC5 (0.57) TRPC5TRPC4TRPC1KCNH2MAOA
SCHEMBL18834764 0.83 TRPC5 (0.56) TRPC5TRPC4TRPC1KCNH2LMNA
SCHEMBL16027825 0.81 TRPC5 (0.60) TRPC5TRPC4TRPC1KCNH2LMNA
SCHEMBL16029205 0.81 TRPC4 (0.71) TRPC5TRPC4TRPC1KCNH2LMNA
SCHEMBL16028477 0.79 TRPC5 (0.72) TRPC5TRPC4TRPC1KCNH2LMNA
SCHEMBL16028288 0.79 TRPC5 (0.59) TRPC5TRPC4TRPC1KCNH2LMNA

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