SCHEMBL19375424

SCHEMBL19375424

CCOc1nc2c(c(=O)n(CCCO)c(=O)n2CC)n1CC1=CC=C(Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.41
▸ TRPC5 Q9UL62 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TRPC1 P48995 1/20 0.38
▸ ADORA3 P0DMS8 2/20 0.37
▸ PDE4B Q07343 2/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL18834408 0.85 TRPC5 (0.44) TRPC4TRPC5KCNH2TSHRHTT
SCHEMBL16028570 0.82 TRPC5 (0.59) TRPC4TRPC5KCNH2SMN1; SMN2TSHR
SCHEMBL19375294 0.81 PDE4A (0.36) TRPC4TRPC5KCNH2TRPC1ADORA3
SCHEMBL16027686 0.81 ADORA3 (0.55) TRPC4TRPC5KCNH2SMN1; SMN2TSHR
SCHEMBL19375019 0.77 TRPC4 (0.42) TRPC4TRPC5KCNH2SMN1; SMN2TSHR
SCHEMBL16028583 0.76 TRPC5 (0.59) TRPC4TRPC5KCNH2SMN1; SMN2TSHR
SCHEMBL16364220 0.76 TRPC5 (0.55) TRPC4TRPC5KCNH2SMN1; SMN2TSHR
SCHEMBL16028388 0.75 TRPC5 (0.57) TRPC4TRPC5KCNH2SMN1; SMN2TSHR
SCHEMBL16028289 0.75 TRPC5 (0.57) TRPC4TRPC5KCNH2SMN1; SMN2TRPC1
SCHEMBL16076147 0.74 TRPC4 (0.50) TRPC4TRPC5KCNH2SMN1; SMN2TSHR

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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