SCHEMBL18833980

SCHEMBL18833980

COCCCn1c(=O)c2c(nc(Nc3cccc(OC(F)(F)F)c3)n2Cc2ccc(C)cc2)n(C)c1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 2/20 0.56
▸ TRPC1 P48995 1/20 0.56
▸ TRPC4 Q9UBN4 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ P2RX3 P56373 5/20 0.52
▸ PCSK9 Q8NBP7 2/20 0.51
▸ LMNA P02545 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL16076242 0.86 TRPC5 (0.63) TRPC5TRPC1TRPC4KDM4EALDH1A1
SCHEMBL16028274 0.85 TRPC5 (0.74) TRPC5TRPC1TRPC4KDM4EALDH1A1
SCHEMBL19505332 0.85 TRPC5 (0.58) TRPC5TRPC1TRPC4KDM4EALDH1A1
SCHEMBL16028515 0.81 P2RX3 (0.56) TRPC5TRPC1TRPC4P2RX3
SCHEMBL19498710 0.79 P2RX3 (0.56) TRPC5TRPC1TRPC4KDM4EALDH1A1
SCHEMBL16028242 0.78 TRPC5 (0.88) TRPC5TRPC1TRPC4ALDH1A1PCSK9
SCHEMBL19375458 0.78 TRPC5 (0.71) TRPC5TRPC1TRPC4ALDH1A1PCSK9
SCHEMBL18834886 0.75 TRPC5 (0.68) TRPC5TRPC1TRPC4ALDH1A1MAPK1
SCHEMBL16028375 0.74 TRPC5 (0.74) TRPC5TRPC1TRPC4ALDH1A1MAPK1
SCHEMBL19498711 0.74 P2RX3 (0.61) TRPC5TRPC1TRPC4KDM4EALDH1A1

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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