SCHEMBL20432276

SCHEMBL20432276

Cc1cnc(Cn2c(Oc3ccc(OC(F)(F)F)cc3)nc3c2C(=O)N(CCCO)C(O)N3C)s1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 3/20 0.34
▸ TRPC1 P48995 1/20 0.34
▸ TRPC4 Q9UBN4 1/20 0.34
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ CTSA P10619 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ ABL1 P00519 1/20 0.30

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
SCHEMBL21499685 0.93 TRPC5 (0.43) TRPC5TRPC1TRPC4CTSA
SCHEMBL19505557 0.91 P2RX3 (0.34) P2RX3
SCHEMBL21499681 0.90 P2RX3 (0.40) TRPC5TRPC4P2RX3
SCHEMBL20432298 0.85 TRPC5 (0.33) TRPC5TRPC1TRPC4P2RX3
SCHEMBL20432382 0.84 TRPC5 (0.40) TRPC5TRPC1TRPC4HCRTR1HCRTR2
SCHEMBL19375459 0.84 TRPC5 (0.43) TRPC5TRPC1TRPC4P2RX3
SCHEMBL21499664 0.79 TRPC5 (0.44) TRPC5TRPC1TRPC4CTSA
SCHEMBL19375432 0.79 TRPC5 (0.43) TRPC5TRPC1TRPC4
SCHEMBL19505559 0.77 PDE5A (0.31) —
SCHEMBL21499677 0.77 TRPC5 (0.51) 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-B3 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2018-08-01 — — EP disclosed
Send feedback