SCHEMBL1744817

SCHEMBL1744817

O=C(O)NNC1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.49
CNR1 P21554 3/20 0.49
CNR2 P34972 3/20 0.49
HTT P42858 2/20 0.49
SLC6A9 P48067 3/20 0.48
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 3/20 0.45
CACNA2D1 P54289 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNA1C Q13936 1/20 0.44
MAOB P27338 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL4793162 0.88 NPSR1 (0.50) NPSR1CNR1CNR2HTTSLC6A9
SCHEMBL377735 0.82 KMT2A (0.51) NPSR1CNR1CNR2HTTSLC6A9
SCHEMBL1094296 0.80 KMT2A (0.44) NPSR1CNR1CNR2HTTSLC6A9
SCHEMBL27717381 0.80 SLC6A9 (0.48) NPSR1CNR1CNR2HTTSLC6A9
SCHEMBL13889298 0.80 SLC6A9 (0.51) NPSR1CNR1CNR2HTTSLC6A9
SCHEMBL21640928 0.78 SLC6A9 (0.50) NPSR1CNR1CNR2HTTSLC6A9
SCHEMBL27717458 0.78 CACNA1A (0.49) NPSR1CNR1CNR2HTTSLC6A9
SCHEMBL18614912 0.77 CNR1 (0.56) NPSR1CNR1CNR2HTTSLC6A9
SCHEMBL15669852 0.76 SMN1; SMN2 (0.47) CNR1CNR2HTTSLC6A9ALDH1A1
SCHEMBL1104991 0.75 OPRM1 (0.44) NPSR1CNR1CNR2HTTSLC6A9

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
EP-2914586-A1 BRUTON'S TYROSINE KINASE INHIBITORS Pfizer Inc. (US) 2015-09-09 EP disclosed
WO-2014068527-A1 BRUTON'S TYROSINE KINASE INHIBITORS PFIZER INC. (US) 2014-05-08 WO disclosed
EP-2385938-A1 SULFONAMIDE DERIVATIVES Pfizer Limited (GB) 2011-11-16 EP disclosed
US-8040476-B2 Display device and method of producing the same MITSUBISHI ELECTRIC CORPORATION (JP) 2011-10-18 US disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 WO disclosed