SCHEMBL7780217

SCHEMBL7780217

CCCCCCCCCCCCOC(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
SLC7A5 Q01650 1/20 0.56
HRH3 Q9Y5N1 11/20 0.53
HRH4 Q9H3N8 4/20 0.51

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
SCHEMBL7781926 1.00 CYP3A4 (0.56) CYP3A4SLC7A5HRH3HRH4
SCHEMBL7779386 1.00 CYP3A4 (0.56) CYP3A4SLC7A5HRH3HRH4
SCHEMBL28221698 0.99 CYP3A4 (0.55) CYP3A4SLC7A5HRH3HRH4
SCHEMBL28031774 0.99 CYP3A4 (0.55) CYP3A4SLC7A5HRH3HRH4
SCHEMBL28032325 0.99 CYP3A4 (0.55) CYP3A4SLC7A5HRH3HRH4
SCHEMBL15228060 0.99 CYP3A4 (0.57) CYP3A4SLC7A5HRH3HRH4
SCHEMBL7739709 0.95 CYP3A4 (0.58) CYP3A4SLC7A5HRH3HRH4
SCHEMBL6436202 0.89 CYP3A4 (0.61) CYP3A4SLC7A5HRH3HRH4
SCHEMBL18804701 0.87 CYP3A4 (0.45) CYP3A4SLC7A5HRH3HRH4
SCHEMBL7300956 0.85 CYP3A4 (0.53) CYP3A4SLC7A5HRH3HRH4

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
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 WO disclosed