SCHEMBL18834830

SCHEMBL18834830

COc1ccc(Oc2nc3c(n2Cc2ccc(Cl)cc2)C(O)N(CCCO)C(=O)N3C)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.43
▸ TRPC5 Q9UL62 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ P2RX3 P56373 15/20 0.42
▸ TRPC1 P48995 1/20 0.40
▸ NPBWR1 P48145 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37

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
SCHEMBL18835313 0.83 TRPC4 (0.40) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL20432150 0.82 TRPC4 (0.39) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL18834484 0.79 TRPC5 (0.41) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL18835214 0.77 P2RX3 (0.39) TRPC5P2RX3
SCHEMBL20431970 0.77 ALDH1A1 (0.43) TRPC5P2RX3ALDH1A1POLB
SCHEMBL18834916 0.77 TRPC4 (0.45) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL19374820 0.76 P2RX3 (0.42) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL19375125 0.76 TRPC4 (0.45) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL19505412 0.76 TRPC4 (0.41) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL19375127 0.75 TRPC5 (0.59) TRPC4TRPC5KCNH2P2RX3TRPC1

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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