SCHEMBL19861720

SCHEMBL19861720

CC(C)CCn1c(CN2CN(C3CC3)c3ccncc32)nc2nc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL19861780 0.92
SCHEMBL15908556 0.84
SCHEMBL27939154 0.80
SCHEMBL19861773 0.80 CYP3A4 (0.32)
SCHEMBL9977914 0.77 CYP3A4 (0.51)
SCHEMBL19719142 0.76
SCHEMBL27939172 0.74
SCHEMBL19719138 0.72 CNR2 (0.33) CNR2
SCHEMBL9978054 0.71 CYP3A4 (0.44)
SCHEMBL15908562 0.71 TSHR (0.36) BCHECNR2

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-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 US disclosed