SCHEMBL18834378

SCHEMBL18834378

CN1c2nc(Cc3ccc(Cl)c(OC(F)(F)F)c3)n(Cc3ccc(Cl)cc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 5/20 0.39
▸ TRPC1 P48995 1/20 0.39
▸ TRPC4 Q9UBN4 1/20 0.39
▸ P2RX3 P56373 9/20 0.36
▸ PDE5A O76074 2/20 0.35
▸ KCNN4 O15554 1/20 0.33
▸ PPARG P37231 2/20 0.33

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
SCHEMBL19505349 0.88 TRPC5 (0.48) TRPC5TRPC1TRPC4P2RX3PDE5A
SCHEMBL21499694 0.85 TRPC5 (0.43) TRPC5TRPC1TRPC4P2RX3
SCHEMBL21499690 0.80 P2RX3 (0.39) TRPC5TRPC4P2RX3PDE5A
SCHEMBL18834374 0.80 P2RX3 (0.38) TRPC5TRPC4P2RX3PDE5A
SCHEMBL21499689 0.79 PDE5A (0.41) TRPC5TRPC4P2RX3PDE5APPARG
SCHEMBL21499677 0.79 TRPC5 (0.51) TRPC5TRPC1TRPC4P2RX3
SCHEMBL21499678 0.79 TRPC5 (0.48) TRPC5TRPC1TRPC4P2RX3
SCHEMBL21499669 0.79 TRPC5 (0.49) TRPC5TRPC1TRPC4P2RX3
SCHEMBL21316298 0.78 P2RX3 (0.46) TRPC5P2RX3PDE5A
SCHEMBL19505090 0.77 TSHR (0.40) P2RX3PDE5A

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
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