SCHEMBL10695867

SCHEMBL10695867

COc1ccc2cc3ccc(C)cc3c(OCCCCCN)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 5/20 0.40
DYRK2 Q92630 2/20 0.40
DYRK1A Q13627 2/20 0.40
DYRK3 O43781 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
GSK3B P49841 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK4 Q9NR20 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
HTR1D P28221 2/20 0.36
HTR6 P50406 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CYP1A2 P05177 1/20 0.35
HTR1A P08908 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 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
SCHEMBL10973045 0.88 MTNR1A (0.37) DYRK1ACLK1DYRK4CYP1A2HTR1A
SCHEMBL10688770 0.87 CYP1A2 (0.42) HASPINDYRK2DYRK1ADYRK3CLK1
SCHEMBL10692825 0.85 MAOB (0.46) HASPINHTR1DHTR6CYP1A2HTR1A
SCHEMBL14884628 0.84 HASPIN (0.55) HASPINDYRK2DYRK1ADYRK3CLK1
SCHEMBL10691148 0.82 MAOA (0.49) CYP1A2MAPT
SCHEMBL10693186 0.79 HTR1B (0.47) HTR1DNOS3NOS1NOS2CYP1A2
SCHEMBL10694673 0.77 CYP1A2 (0.44) HASPINDYRK2DYRK1ADYRK3CLK1
SCHEMBL10691598 0.77 HPGD (0.50) HTR1AMAPTTSHRNPSR1
SCHEMBL2553820 0.76 DYRK3 (0.62) HASPINDYRK2DYRK1ADYRK3CLK1
SCHEMBL10693321 0.75 CYP1A2 (0.44) CYP1A2MAPTHTR2ASLC2A1MTNR1A

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
US-4792551-A 9-anthryloxyaminoalkanes and related compounds as anti-inflammatory and analgetic agents SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0132351-A2 9-Anthryloxyaminoalkanes and related compounds, processes for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-01-30 EP disclosed