SCHEMBL10693274

SCHEMBL10693274

Cc1cccc2cc3ccccc3c(OCCCCCCCCCCCCN)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.47
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTR2A P28223 1/20 0.36
POLB P06746 1/20 0.35
CYP2A6 P11509 1/20 0.35
SSTR2 P30874 1/20 0.34
SSTR4 P31391 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34

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
SCHEMBL10695350 0.89 ALDH1A1 (0.41) HTR1BALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL10693012 0.89 HTR1B (0.42) HTR1BALDH1A1CYP1A2HSD17B10NOS3
SCHEMBL27603617 0.88 CNR1 (0.41) HTR1BALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL3694800 0.86 ALDH1A1 (0.41) HTR1BALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL10696007 0.86 HTR1B (0.45) HTR1BALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL10694635 0.84 HTR1B (0.53) HTR1BALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL10693528 0.84 HTR1B (0.54) HTR1BALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL10692940 0.84 HTR1B (0.54) HTR1BALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL10692231 0.84 HTR1B (0.54) HTR1BALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL10695724 0.84 HTR1B (0.54) HTR1BALDH1A1CYP1A2HSD17B10KDM4E

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