SCHEMBL4770993

SCHEMBL4770993

COc1cc2c(cc1CC=O)N(C)CCO2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.37
GHSR Q92847 1/20 0.37
AR P10275 1/20 0.37
NOTUM Q6P988 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL27434483 0.76 RXFP1 (0.56) PDE10ARXFP1KMT2ALMNATHRB
SCHEMBL30954136 0.76 RXFP1 (0.56) PDE10ARXFP1KMT2ALMNATHRB
SCHEMBL27432476 0.75 RXFP1 (0.46) PDE10ARXFP1KMT2ALMNATHRB
SCHEMBL27433242 0.75 POLB (0.47) PDE10ARXFP1KMT2ALMNATHRB
SCHEMBL30954097 0.75 POLB (0.47) PDE10ARXFP1KMT2ALMNATHRB
SCHEMBL1494271 0.73 RXFP1 (0.46) PDE10ARXFP1KMT2ALMNATHRB
SCHEMBL1494287 0.72 RXFP1 (0.45) PDE10ARXFP1KMT2ALMNATHRB
SCHEMBL31017016 0.72 RXFP1 (0.46) PDE10ARXFP1KMT2ALMNATHRB
SCHEMBL3957011 0.71 PPARG (0.50) KMT2ALMNATHRB
SCHEMBL21798818 0.71 TAAR1 (0.45) KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924264-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025925-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed