SCHEMBL18834799

SCHEMBL18834799

CCn1c(=O)n(CCCO)c(=O)c2c1nc(Oc1ccccc1C)n2C/C(C)=C/C=C(\C)Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.40
▸ TRPC5 Q9UL62 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA1 P30542 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TRPC1 P48995 1/20 0.37
▸ HTT P42858 3/20 0.35
▸ NCOA3 Q9Y6Q9 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL18834056 0.83 ALDH1A1 (0.42) TRPC4TRPC5KCNH2ADORA3ADORA1
SCHEMBL16028103 0.81 TRPC5 (0.60) TRPC4TRPC5KCNH2ADORA3ADORA1
SCHEMBL18834408 0.77 TRPC5 (0.44) TRPC4TRPC5KCNH2ADORA3ADORA1
SCHEMBL16028034 0.75 MAPT (0.63) TRPC4TRPC5KCNH2ADORA3MAPT
SCHEMBL16027733 0.74 TRPC5 (0.63) TRPC4TRPC5KCNH2ADORA3MAPT
SCHEMBL16028325 0.74 TRPC5 (0.61) TRPC4TRPC5KCNH2ADORA3ADORA1
SCHEMBL16028200 0.73 TRPC5 (0.60) TRPC4TRPC5KCNH2ADORA3ADORA1
SCHEMBL16028144 0.73 TRPC5 (0.57) TRPC4TRPC5KCNH2ADORA3ADORA1
SCHEMBL16028879 0.72 TRPC5 (0.72) TRPC4TRPC5KCNH2MAPTTRPC1
SCHEMBL16028746 0.72 TRPC4 (0.62) TRPC4TRPC5KCNH2MAPTTRPC1

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
Send feedback