SCHEMBL19375494

SCHEMBL19375494

C=C1N(CCCO)C(=O)c2c(nc(Oc3ccc(Cl)cc3)n2Cc2ccccc2)N1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.43
▸ TRPC5 Q9UL62 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ P2RX3 P56373 14/20 0.41
▸ TRPC1 P48995 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ PDE5A O76074 2/20 0.38

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
SCHEMBL19375493 0.79 ALDH1A1 (0.38) TRPC4TRPC5KCNH2P2RX3ALDH1A1
SCHEMBL19375187 0.79 TRPC4 (0.44) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL19375563 0.78 PDE5A (0.39) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL19375219 0.77 TRPC4 (0.46) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL19375544 0.77 ADORA3 (0.35) ALDH1A1ADORA3PDE5A
SCHEMBL18833767 0.76 TRPC5 (0.51) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL20432532 0.76 PDE5A (0.33) ADORA3PDE5A
SCHEMBL19505572 0.76 TRPC4 (0.47) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL19375680 0.75 TRPC4 (0.46) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL19375602 0.75 ADORA3 (0.43) TRPC4TRPC5KCNH2TRPC1ALDH1A1

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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