SCHEMBL18834391

SCHEMBL18834391

Cn1c(=O)n(CCO)c(=O)c2c1nc(Oc1cccc(OC(F)(F)F)c1)n2Cc1ccc(N)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 8/20 0.78
▸ TRPC4 Q9UBN4 2/20 0.78
▸ TRPC1 P48995 1/20 0.78
▸ KCNH2 Q12809 1/20 0.62
▸ TSHR P16473 3/20 0.53
▸ PCSK9 Q8NBP7 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ P2RX3 P56373 1/20 0.46

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
SCHEMBL16029036 0.92 TRPC5 (0.91) TRPC5TRPC4TRPC1KCNH2TSHR
SCHEMBL16363508 0.88 TRPC5 (0.89) TRPC5TRPC4TRPC1KCNH2TSHR
SCHEMBL16027988 0.88 TRPC5 (0.88) TRPC5TRPC4TRPC1KCNH2TSHR
SCHEMBL16028242 0.88 TRPC5 (0.88) TRPC5TRPC4TRPC1KCNH2TSHR
Zerencotrep SCHEMBL16027694 0.88 TRPC5 (1.00) TRPC5TRPC4TRPC1KCNH2TSHR
SCHEMBL16027656 0.88 TRPC5 (0.88) TRPC5TRPC4TRPC1KCNH2TSHR
SCHEMBL16028620 0.87 TRPC5 (0.88) TRPC5TRPC4TRPC1KCNH2TSHR
SCHEMBL16028598 0.87 TRPC5 (0.95) TRPC5TRPC4TRPC1KCNH2TSHR
SCHEMBL16028439 0.87 TRPC5 (0.86) TRPC5TRPC4TRPC1KCNH2TSHR
SCHEMBL16028164 0.86 TRPC5 (0.75) TRPC5TRPC4TRPC1KCNH2TSHR

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 2 patents. 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
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
Send feedback