SCHEMBL19375603

SCHEMBL19375603

CN1c2nc(Oc3ccccc3OC(F)(F)F)n(Cc3ccccc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 4/20 0.38
▸ TRPC1 P48995 1/20 0.38
▸ TRPC4 Q9UBN4 1/20 0.38
▸ DPP4 P27487 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.35
▸ PDE5A O76074 2/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ HCRTR1 O43613 6/20 0.34
▸ HCRTR2 O43614 6/20 0.34
▸ CHRM5 P08912 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CHRM4 P08173 1/20 0.31

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
SCHEMBL18834435 0.88 MAPT (0.39) TRPC5TRPC4ADORA3PDE5AMAPT
SCHEMBL19375600 0.85 P2RX3 (0.34) TRPC5TRPC1TRPC4PDE5A
SCHEMBL18833918 0.84 P2RX3 (0.35) TRPC5TRPC1TRPC4ADORA3PDE5A
SCHEMBL21499680 0.83 P2RX3 (0.39) TRPC5TRPC1TRPC4ADORA3CYP3A4
SCHEMBL19505503 0.83 TRPC4 (0.39) TRPC5TRPC1TRPC4MAPT
SCHEMBL19375436 0.83 P2RX7 (0.35) TRPC5TRPC1TRPC4ADORA3PDE5A
SCHEMBL18834254 0.83 TRPC4 (0.40) TRPC5TRPC1TRPC4PDE5ACYP3A4
SCHEMBL18835145 0.83 ADORA3 (0.36) TRPC5TRPC1TRPC4ADORA3PDE5A
SCHEMBL21499678 0.82 TRPC5 (0.48) TRPC5TRPC1TRPC4HCRTR1HCRTR2
SCHEMBL21499669 0.82 TRPC5 (0.49) TRPC5TRPC1TRPC4HCRTR1HCRTR2

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
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