SCHEMBL18834395

SCHEMBL18834395

CN1C(=O)N(CCCO)Cc2c1nc(Oc1cc(F)cc(F)c1)n2Cc1ccc(Cl)cn1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.34
▸ TRPC5 Q9UL62 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ P2RX3 P56373 16/20 0.34
▸ TRPC1 P48995 1/20 0.34
▸ MDM2 Q00987 2/20 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
SCHEMBL19375125 0.80 TRPC4 (0.45) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL18835291 0.76 COMT (0.34) TRPC5P2RX3MDM2
SCHEMBL16028229 0.75 TRPC5 (0.62) TRPC4TRPC5KCNH2TRPC1
SCHEMBL18835283 0.70 TRPC5 (0.46) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL16028337 0.69 TRPC5 (0.69) TRPC4TRPC5KCNH2TRPC1
SCHEMBL18834346 0.68 TRPC5 (0.46) TRPC4TRPC5KCNH2TRPC1
SCHEMBL19375468 0.68 P2RX3 (0.43) P2RX3
SCHEMBL16028336 0.68 TRPC4 (0.61) TRPC4TRPC5KCNH2TRPC1
SCHEMBL16364304 0.68 TRPC5 (0.48) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL21345008 0.67 ALDH1A1 (0.38) TRPC4TRPC5KCNH2TRPC1MDM2

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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