SCHEMBL27738871

SCHEMBL27738871

NCC(Cc1ccccc1)NC(=O)OCc1cncs1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.67

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
SCHEMBL27738870 1.00 CYP3A4 (0.67) CYP3A4
SCHEMBL18715751 0.91 CYP3A4 (0.73) CYP3A4
SCHEMBL21946528 0.91 CYP3A4 (0.73) CYP3A4
SCHEMBL2736036 0.91 CYP3A4 (0.73) CYP3A4
SCHEMBL2736101 0.91 CYP3A4 (0.73) CYP3A4
SCHEMBL2736102 0.91 CYP3A4 (0.73) CYP3A4
SCHEMBL2736103 0.91 CYP3A4 (0.73) CYP3A4
SCHEMBL18715877 0.89 CYP3A4 (0.66) CYP3A4
SCHEMBL14123813 0.89 CYP3A4 (0.66) CYP3A4
SCHEMBL271601 0.89 CYP3A4 (0.83) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101432129-A Novel compounds that are useful for improving pharmacokinetics ABBOTT LAB (US) 2009-05-13 CN disclosed