SCHEMBL19375600

SCHEMBL19375600

CN1c2nc(Oc3ccccc3C(F)(F)F)n(Cc3ccc(F)cc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 4/20 0.34
▸ TRPC5 Q9UL62 3/20 0.34
▸ TRPC4 Q9UBN4 2/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ TRPC1 P48995 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PDE5A O76074 1/20 0.33
▸ SCD O00767 2/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ HRH1 P35367 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32

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
SCHEMBL18833918 0.89 P2RX3 (0.35) P2RX3TRPC5TRPC4TRPC1PDE5A
SCHEMBL19375436 0.88 P2RX7 (0.35) P2RX3TRPC5TRPC4P2RX7TRPC1
SCHEMBL21499680 0.87 P2RX3 (0.39) P2RX3TRPC5TRPC4TRPC1KCNH2
SCHEMBL19375603 0.85 TRPC5 (0.38) TRPC5TRPC4TRPC1PDE5A
SCHEMBL19505503 0.85 TRPC4 (0.39) P2RX3TRPC5TRPC4TRPC1KCNH2
SCHEMBL20432432 0.84 PDE5A (0.37) P2RX3TRPC5PDE5ATSHR
SCHEMBL19375398 0.84 P2RX3 (0.38) P2RX3TRPC5TRPC4TRPC1PDE5A
SCHEMBL18834254 0.83 TRPC4 (0.40) P2RX3TRPC5TRPC4TRPC1LMNA
SCHEMBL20432022 0.83 TRPC4 (0.42) P2RX3TRPC5TRPC4TRPC1KCNH2
SCHEMBL18834435 0.83 MAPT (0.39) TRPC5TRPC4P2RX7PDE5AKCNH2

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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