SCHEMBL7741391

SCHEMBL7741391

CS(=O)(=O)CCCn1c(CN2C(=O)/C(=N\OCCF)c3ccncc32)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37

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
SCHEMBL8363984 0.89 CYP3A4 (0.39) CYP3A4
SCHEMBL7745821 0.89 CYP3A4 (0.48) CYP3A4
SCHEMBL7746259 0.89 CYP3A4 (0.35) CYP3A4
SCHEMBL7746706 0.86 CYP3A4 (0.40) CYP3A4
SCHEMBL7745448 0.85 TSHR (0.35)
SCHEMBL7745730 0.81 DRD2 (0.34) CYP3A4
SCHEMBL7741398 0.80 CYP3A4 (0.50) CYP3A4
SCHEMBL7741750 0.79 CYP3A4 (0.44) CYP3A4
SCHEMBL7745843 0.78 CYP3A4 (0.38) CYP3A4
SCHEMBL8363985 0.77 CYP3A4 (0.40) 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
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed