SCHEMBL10936611

SCHEMBL10936611

CCCC(CCC)(C(N)=O)C(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.56
MMP8 P22894 3/20 0.48
CYP2C19 P33261 2/20 0.47
EPHX2 P34913 1/20 0.47
CYP3A4 P08684 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
OPRK1 P41145 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
PPID Q08752 1/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44

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
SCHEMBL10934625 0.91 RIPK1 (0.54) RIPK1MMP8CYP2C19EPHX2CYP3A4
SCHEMBL10937862 0.88 RIPK1 (0.64) RIPK1MMP8CYP2C19EPHX2CYP3A4
SCHEMBL5606082 0.80 RIPK1 (0.58) RIPK1MMP8CYP2C19EPHX2CYP3A4
SCHEMBL5693586 0.80 RIPK1 (0.58) RIPK1MMP8CYP2C19EPHX2CYP3A4
SCHEMBL19176844 0.80 RIPK1 (0.76) RIPK1MMP8CYP2C19EPHX2CYP3A4
SCHEMBL4068358 0.79 EPHX2 (0.48) RIPK1MMP8CYP2C19EPHX2CYP3A4
SCHEMBL4068361 0.79 EPHX2 (0.48) RIPK1MMP8CYP2C19EPHX2CYP3A4
SCHEMBL2044492 0.78 HTT (0.49) RIPK1MMP8CYP2C19OPRK1SMN1; SMN2
SCHEMBL10936025 0.78 RIPK1 (0.63) RIPK1MMP8CYP2C19L3MBTL1OPRK1
SCHEMBL7438658 0.78 RIPK1 (0.68) RIPK1MMP8CYP2C19EPHX2CYP3A4

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-4537781-A Pharmaceutically useful malonamides RESEARCH CORPORATION (US) 1985-08-27 US disclosed
EP-0135189-A2 Pharmaceutically useful malonamides Research Corporation (US) 1985-03-27 EP disclosed