SCHEMBL16364056

SCHEMBL16364056

CCn1c(OCc2ncc(C)s2)nc2[nH]c(=O)n(CCCOC3CCCCO3)c(=O)c21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 10/20 0.35
▸ TLR7 Q9NYK1 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ TPH1 P17752 1/20 0.30
▸ TPH2 Q8IWU9 1/20 0.30

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
SCHEMBL16079035 0.85 MAPK1 (0.40) P2RX3
SCHEMBL16363504 0.75 P2RX3 (0.46) P2RX3
SCHEMBL20655999 0.71 P2RX3 (0.45) P2RX3
SCHEMBL16058231 0.70 ADORA2B (0.55) P2RX3TLR7MEN1KMT2AADORA2B
SCHEMBL17538686 0.69 KDM4C (0.39) P2RX3TLR7MEN1KMT2AKDM4C
SCHEMBL20656202 0.69 CNOT7 (0.50) P2RX3MEN1KMT2A
SCHEMBL20656222 0.68 P2RX3 (0.34) P2RX3
SCHEMBL19375156 0.68 MAPK1 (0.47) ADORA2B
SCHEMBL18833745 0.67 P2RX3 (0.38) P2RX3MEN1KMT2AADORA2B
SCHEMBL20656191 0.66 CNOT7 (0.38) P2RX3TLR7MEN1KMT2ATGFBR1

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
WO-2014143799-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-12-24 — — WO disclosed
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