SCHEMBL19374929

SCHEMBL19374929

CCn1c(NNC2CCC2)c(NCc2ccc(Cl)cc2)c(=O)n(CCCO)c1=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 5/20 0.41
▸ TRPC5 Q9UL62 11/20 0.38
▸ TP53 P04637 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ TRPC4 Q9UBN4 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
SCHEMBL18834584 0.75 TRPC5 (0.50) TRPC5TP53ADRA2AKCNH2TRPC4
SCHEMBL18834573 0.72 TRPC5 (0.51) TRPC5TP53ADRA2AKCNH2TRPC4
SCHEMBL16076129 0.67 P2RX3 (0.56) P2RX3TRPC5KCNH2TRPC4
SCHEMBL19375348 0.67 TRPC5 (0.47) TRPC5
SCHEMBL18834990 0.65 ALDH1A1 (0.48) P2RX3TRPC5TP53KCNH2TRPC4
SCHEMBL16076121 0.65 TRPC5 (0.54) P2RX3TRPC5TP53KCNH2TRPC4
SCHEMBL19374943 0.64 TRPC5 (0.40) TRPC5TP53ADRA2AKCNH2TRPC4
SCHEMBL16076263 0.64 TRPC5 (0.53) P2RX3TRPC5TP53KCNH2TRPC4
SCHEMBL16028059 0.62 TRPC5 (0.54) P2RX3TRPC5TP53KCNH2TRPC4
SCHEMBL19375583 0.62 MAPT (0.37) TRPC5TP53ADRA2A

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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