SCHEMBL19560554

SCHEMBL19560554

CN1C(=O)c2c(nc(Oc3cccc(OC(F)(F)F)c3)n2Cc2ccc(OC(F)(F)F)cc2)N(C)C1O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPC1 P48995 1/20 0.49
▸ TRPC4 Q9UBN4 1/20 0.49
▸ TRPC5 Q9UL62 1/20 0.49
▸ CHRM5 P08912 4/20 0.41
▸ HCRTR1 O43613 12/20 0.41
▸ HCRTR2 O43614 12/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ P2RX3 P56373 3/20 0.39

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
SCHEMBL19560365 0.92 TRPC1 (0.46) TRPC1TRPC4TRPC5CHRM5P2RX3
SCHEMBL19560455 0.92 TRPC5 (0.45) TRPC1TRPC4TRPC5CHRM5HCRTR1
SCHEMBL21316291 0.88 TRPC5 (0.54) TRPC1TRPC4TRPC5CHRM5HCRTR1
SCHEMBL19505311 0.86 TRPC5 (0.53) TRPC1TRPC4TRPC5CHRM5P2RX3
SCHEMBL19505209 0.86 TRPC5 (0.52) TRPC1TRPC4TRPC5CHRM5HCRTR1
SCHEMBL19505055 0.86 TRPC5 (0.56) TRPC1TRPC4TRPC5CHRM5HCRTR1
SCHEMBL21499665 0.85 TRPC5 (0.51) TRPC1TRPC4TRPC5CHRM5HCRTR1
SCHEMBL18833641 0.85 TRPC5 (0.51) TRPC1TRPC4TRPC5HCRTR1HCRTR2
SCHEMBL19505138 0.85 TRPC5 (0.43) TRPC1TRPC4TRPC5CHRM5HCRTR1
SCHEMBL19505445 0.84 TRPC5 (0.51) TRPC1TRPC4TRPC5CHRM5HCRTR1

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-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 — — EP disclosed
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