SCHEMBL10693771

SCHEMBL10693771

NCCCCOc1c2ccccc2cc2ccc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.45
CHEK1 O14757 1/20 0.39
HTR2A P28223 1/20 0.38
CYP2A6 P11509 1/20 0.37
MCL1 Q07820 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FERMT2 Q96AC1 1/20 0.34
MAOA P21397 1/20 0.34
SSTR2 P30874 1/20 0.33
SSTR4 P31391 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL10692715 0.88 L3MBTL1 (0.40) HTR1BCHEK1CYP2A6MCL1SLC6A2
SCHEMBL10695347 0.88 HTR1B (0.47) HTR1BCHEK1HTR2ACYP2A6MCL1
SCHEMBL10690407 0.88 HTR1B (0.56) HTR1BHTR2AL3MBTL1MAOASSTR2
SCHEMBL10692059 0.86 HTR1B (0.54) HTR1BHTR2ASSTR2SSTR4HDAC3
SCHEMBL10695724 0.86 HTR1B (0.54) HTR1BHTR2ASSTR2SSTR4HDAC3
SCHEMBL10688833 0.86 HTR1B (0.54) HTR1BHTR2ASSTR2SSTR4HDAC3
SCHEMBL10692231 0.86 HTR1B (0.54) HTR1BHTR2ASSTR2SSTR4HDAC3
SCHEMBL10693528 0.86 HTR1B (0.54) HTR1BHTR2ASSTR2SSTR4HDAC3
SCHEMBL10692940 0.86 HTR1B (0.54) HTR1BHTR2ASSTR2SSTR4HDAC3
SCHEMBL10694132 0.86 HTR1B (0.54) HTR1BHTR2ASSTR2SSTR4HDAC3

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