SCHEMBL6991104

SCHEMBL6991104

COc1ccc(-c2cccc(OC)c2C2NCCc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.61
MAOA P21397 1/20 0.48
OPRM1 P35372 2/20 0.43
OPRK1 P41145 1/20 0.43
HTR2C P28335 2/20 0.43
PRCP P42785 3/20 0.43
DYRK1A Q13627 1/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ADRB2 P07550 3/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRB3 P13945 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL6986787 0.80 GID4 (0.55) GID4MAOAOPRM1HTR2CPRCP
SCHEMBL28686857 0.77 GID4 (0.49) GID4MAOAOPRM1HTR2CPRCP
SCHEMBL3065108 0.76 GID4 (1.00) GID4MAOAOPRM1OPRK1PRCP
SCHEMBL22728762 0.76 GID4 (1.00) GID4MAOAOPRM1OPRK1PRCP
SCHEMBL29498352 0.76 GID4 (1.00) GID4MAOAOPRM1OPRK1PRCP
SCHEMBL2792861 0.76 GID4 (0.63) GID4MAOAOPRM1HTR2CPRCP
SCHEMBL2796297 0.76 GID4 (0.63) GID4MAOAOPRM1HTR2CPRCP
SCHEMBL22728765 0.76 GID4 (0.63) GID4MAOAOPRM1HTR2CPRCP
SCHEMBL28686856 0.75 GID4 (0.52) GID4OPRM1HTR2CPRCPDYRK1A
SCHEMBL1704521 0.71 ABL1 (0.62) HTR7

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