SCHEMBL6525065

SCHEMBL6525065

O=c1cc(CN2CCOCC2)occ1OCCCCCOc1ccc2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 3/20 0.67
RAC2 P15153 1/20 0.67
RAC3 P60763 1/20 0.67
HRH3 Q9Y5N1 1/20 0.39
PDK2 Q15119 2/20 0.37
EPHX2 P34913 2/20 0.37
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 1/20 0.36
SCN9A Q15858 2/20 0.36
MCHR1 Q99705 1/20 0.36
LDHA P00338 3/20 0.35

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
SCHEMBL4161227 0.85 RAC1 (0.81) RAC1RAC2RAC3PDK2EPHX2
SCHEMBL1461798 0.83 RAC1 (0.73) RAC1RAC2RAC3PDK2EPHX2
SCHEMBL1460427 0.81 RAC1 (0.75) RAC1RAC2RAC3PDK2KMT2A
SCHEMBL1461351 0.81 RAC1 (1.00) RAC1RAC2RAC3PDK2EPHX2
SCHEMBL30798860 0.81 RAC1 (1.00) RAC1RAC2RAC3PDK2EPHX2
SCHEMBL6027115 0.80 RAC1 (0.66) RAC1RAC2RAC3PDK2KMT2A
Hydrochloric Acid SCHEMBL29383079 0.80 RAC1 (1.00) RAC1RAC2RAC3PDK2EPHX2
Hydrochloric Acid SCHEMBL384979 0.80 RAC1 (1.00) RAC1RAC2RAC3PDK2EPHX2
SCHEMBL20678026 0.79 RAC1 (0.65) RAC1RAC2RAC3PDK2EPHX2
SCHEMBL20677974 0.78 RAC1 (0.64) RAC1RAC2RAC3PDK2EPHX2

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-1597253-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS Exonhit Therapeutics S.A. (FR) 2005-11-23 EP disclosed
WO-2004076445-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2004-09-10 WO disclosed