SCHEMBL8924151

SCHEMBL8924151

Clc1cccc(C2OC2COCC2OC2c2cccc(Cl)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
SLC6A3 Q01959 6/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
MDM2 Q00987 3/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 2/20 0.36

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
SCHEMBL4083576 0.81 SLC5A2 (0.46) HTR2AHTR2CHTR2B
SCHEMBL9131857 0.81 KDM1A (0.44) HTR2AHTR2CHTR2BSLC6A3TAAR1
SCHEMBL3899634 0.81 LMNA (0.36) HTR2AHTR2CHTR2BSLC6A3MDM2
SCHEMBL5704482 0.78 TSHR (0.41) HTR2AHTR2CHTR2BSLC6A3KDM1A
SCHEMBL8857982 0.69 SLC5A2 (0.35) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL38655763 0.68 KDM4E (0.34) MEN1KMT2A
SCHEMBL11840470 0.68 TSHR (0.52) HTR2AHTR2CHTR2BTAAR1
SCHEMBL7169088 0.68 TDP1 (0.49) MEN1KMT2A
SCHEMBL15327483 0.67 TAAR1 (0.44) HTR2AHTR2CHTR2BSLC6A3TAAR1
SCHEMBL6675608 0.67 SLC5A2 (0.38) KDM1AMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614518-A Morpholine derivatives as dopamine receptor subtype ligands MERCK SHARP & DOHME LTD. (GB) 1997-03-25 US disclosed
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