SCHEMBL6986787

SCHEMBL6986787

COc1cccc(C)c1C1NCCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.55
PRCP P42785 5/20 0.51
MAOA P21397 1/20 0.48
RECQL P46063 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CETP P11597 1/20 0.46
OPRM1 P35372 1/20 0.46
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.42

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
SCHEMBL2796297 0.82 GID4 (0.63) GID4PRCPMAOARECQLGAA
SCHEMBL2792861 0.82 GID4 (0.63) GID4PRCPMAOARECQLGAA
SCHEMBL22728765 0.82 GID4 (0.63) GID4PRCPMAOARECQLGAA
SCHEMBL6991104 0.80 GID4 (0.61) GID4PRCPMAOARECQLGAA
SCHEMBL28686856 0.78 GID4 (0.52) GID4PRCPRECQLGAAMEN1
SCHEMBL28686857 0.78 GID4 (0.49) GID4PRCPMAOARECQLGAA
SCHEMBL6229072 0.77 PRCP (0.65) GID4PRCPRECQLGAAMEN1
SCHEMBL6229660 0.77 PRCP (0.65) GID4PRCPRECQLGAAMEN1
SCHEMBL11948848 0.76 GID4 (0.49) GID4PRCPMAOARECQLGAA
SCHEMBL4388623 0.75 MAOA (0.48) GID4PRCPMAOARECQLGAA

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-1341765-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2003-09-10 EP disclosed
WO-2002046164-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2002-06-13 WO disclosed