SCHEMBL9048533

SCHEMBL9048533

Clc1ccccc1C1OC1COCC1OC1c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
DPP4 P27487 1/20 0.37
TP53 P04637 1/20 0.34
RECQL P46063 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
SLC5A2 P31639 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
SLC6A3 Q01959 3/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 3/20 0.31

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
SCHEMBL15538748 0.87 TSHR (0.42) HTR2AHTR2CHTR2BTAAR1LMNA
SCHEMBL30444100 0.87 TSHR (0.42) HTR2AHTR2CHTR2BTAAR1LMNA
SCHEMBL16795877 0.87 TSHR (0.42) HTR2AHTR2CHTR2BTAAR1LMNA
SCHEMBL29418661 0.87 TSHR (0.42) HTR2AHTR2CHTR2BTAAR1LMNA
SCHEMBL16808656 0.84 SMN1; SMN2 (0.37) HTR2AHTR2CHTR2BLMNATSHR
SCHEMBL16808546 0.84 SMN1; SMN2 (0.37) HTR2AHTR2CHTR2BLMNATSHR
SCHEMBL1498876 0.80 HTR2A (0.42) HTR2AHTR2CHTR2BDPP4TP53
SCHEMBL4077173 0.80 SLC5A2 (0.43) HTR2AHTR2CHTR2BDPP4TP53
SCHEMBL4087354 0.80 SLC5A2 (0.43) HTR2AHTR2CHTR2BDPP4TP53
SCHEMBL4087103 0.80 SLC5A2 (0.43) HTR2AHTR2CHTR2BDPP4TP53

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-0730593-A1 MORPHOLINE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1996-09-11 EP disclosed
WO-1995014690-A1 MORPHOLINE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-06-01 WO disclosed