SCHEMBL6952162

SCHEMBL6952162

CCOC(=O)N1CCC(P(=O)(OCC)OCC)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.50
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
NOS3 P29474 1/20 0.48
NOS2 P35228 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CHRM1 P11229 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BRD4 O60885 1/20 0.45
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL6954684 0.87 GAA (0.54) GAAL3MBTL1THRBATMNOS3
SCHEMBL7960012 0.83 GAA (0.57) GAAL3MBTL1THRBATMNOS3
SCHEMBL27445549 0.77 TSHR (0.36) GAATSHRTP53TDP1MEN1
SCHEMBL1111736 0.76 GAA (0.67) GAAL3MBTL1THRBATMNOS3
SCHEMBL894500 0.75 TSHR (0.46) TSHRTP53TDP1MEN1KMT2A
SCHEMBL3629079 0.74 GAA (0.70) GAAL3MBTL1THRBATMNOS3
SCHEMBL1267094 0.74 GAA (0.65) GAAL3MBTL1THRBATMNOS3
SCHEMBL1219954 0.74 GAA (0.65) GAAL3MBTL1THRBATMNOS3
SCHEMBL29588936 0.74 GAA (0.65) GAAL3MBTL1THRBATMNOS3
SCHEMBL1684895 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015084693-A2 NEW PROCESS FOR PREPARING LORATADINE FROM A KETONE INTERMEDIATE MERCK SHARP & DOHME CORP. (US) 2015-06-11 WO disclosed
EP-1140899-B1 PROCESS FOR PREPARING TRICYCLIC COMPOUNDS HAVING ANTIHISTAMINIC ACTIVITY SCHERING CORP (US) 2003-09-10 EP disclosed
EP-1140899-A1 PROCESS FOR PREPARING TRICYCLIC COMPOUNDS HAVING ANTIHISTAMINIC ACTIVITY SCHERING CORPORATION (US) 2001-10-10 EP disclosed
US-6271378-B1 Process for preparing tricyclic compounds having antihistaminic activity SCHERING CORPORATION 2001-08-07 US disclosed
WO-2000037457-A1 PROCESS FOR PREPARING TRICYCLIC COMPOUNDS HAVING ANTIHISTAMINIC ACTIVITY SCHERING CORPORATION (US) 2000-06-29 WO disclosed