SCHEMBL8026316

SCHEMBL8026316

NCCC1Cc2cc(N)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.38
HRH4 Q9H3N8 1/20 0.38
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPKAPK2 P49137 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
DPP4 P27487 1/20 0.31

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
SCHEMBL8038096 0.82 CA2 (0.38) HRH3HRH4FFAR1FFAR4SLC6A2
SCHEMBL7797531 0.81 GRM2 (0.45) HRH3HRH4
SCHEMBL8425149 0.81 MAPKAPK2 (0.37) HRH3HRH4FFAR1FFAR4NPC1
SCHEMBL7297674 0.81 HRH3 (0.38) HRH3HRH4NPC1RAB9ALMNA
SCHEMBL8280054 0.81 HRH3 (0.38) HRH3HRH4NPC1RAB9ALMNA
SCHEMBL7297669 0.81 HRH3 (0.38) HRH3HRH4NPC1RAB9ALMNA
SCHEMBL7788802 0.80 FFAR4 (0.51) FFAR1FFAR4
SCHEMBL8036686 0.78 HRH3 (0.60) HRH3FFAR1FFAR4LMNAKDM4E
SCHEMBL8282287 0.78 HRH3 (0.43) HRH3HRH4NPC1RAB9ALMNA
SCHEMBL8026169 0.77 HRH3 (0.47) HRH3SLC6A2SLC6A4SLC6A3

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-2000076990-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed