SCHEMBL9846113

SCHEMBL9846113

CCc1cc(COc2cc(CC)c(C)nc2OC)c(OC)nc1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 0.34
TAAR1 Q96RJ0 2/20 0.33
PKM P14618 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
GAA P10253 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9846217 0.84 PDE3B (0.37) KDM4EMAPK1
SCHEMBL9432009 0.77 CD274 (0.38) TAAR1GAAKDM4E
SCHEMBL9272505 0.77 PDE4A (0.40) GAAKDM4E
SCHEMBL9431791 0.75 MAPT (0.40) KDM4EMAPK1SMN1; SMN2
SCHEMBL22595837 0.74 POLB (0.35) GAA
SCHEMBL9432058 0.74 TAAR1 (0.50) TAAR1
SCHEMBL9846426 0.74 PDE4A (0.35) L3MBTL1
SCHEMBL9846391 0.73 MAPT (0.34) L3MBTL1SMN1; SMN2
SCHEMBL9846287 0.71 GAA (0.33) TAAR1GAAL3MBTL1MAPK1SMN1; SMN2
SCHEMBL9432036 0.71 GAA (0.36) GAA

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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed