SCHEMBL4785138

SCHEMBL4785138

CC(C)(C)C1CN(c2nc(N)nc3c2oc2ccc(Cl)cc23)CCN1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 20/20 0.61
HRH3 Q9Y5N1 1/20 0.60

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
SCHEMBL4799288 0.95 HRH4 (0.62) HRH4HRH3
SCHEMBL4739518 0.86 HRH4 (0.62) HRH4HRH3
SCHEMBL4739108 0.86 HRH4 (0.61) HRH4HRH3
SCHEMBL4808251 0.82 HRH4 (0.59) HRH4HRH3
SCHEMBL4735717 0.80 HRH4 (0.68) HRH4HRH3
SCHEMBL4786925 0.79 HRH4 (0.41) HRH4HRH3
Trifluoroacetic Acid SCHEMBL2495678 0.78 HRH4 (0.63) HRH4HRH3
Trifluoroacetic Acid SCHEMBL2497933 0.78 HRH4 (0.63) HRH4HRH3
Trifluoroacetic Acid SCHEMBL2493158 0.78 HRH4 (0.82) HRH4HRH3
Trifluoroacetic Acid SCHEMBL2495214 0.78 HRH4 (0.82) HRH4HRH3

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
WO-2008074445-A1 NOVEL TRICYCLIC AND HETEROTRICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS THEREOF UCB PHARMA, S.A. (BE) 2008-06-26 WO disclosed