SCHEMBL4738366

SCHEMBL4738366

CC(C)(C)C(=O)Nc1nc(N2CCC(N(C(=O)O)C(C)(C)C)C2)c2oc3cc(Cl)ccc3c2n1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.44
HRH3 Q9Y5N1 1/20 0.41
CGAS Q8N884 1/20 0.34

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
SCHEMBL4799779 0.85 HRH4 (0.49) HRH4HRH3
SCHEMBL4786925 0.81 HRH4 (0.41) HRH4HRH3
SCHEMBL4786930 0.77 HRH4 (0.41) HRH4
SCHEMBL4594250 0.69 HRH4 (0.65) HRH4HRH3
SCHEMBL4594254 0.69 HRH4 (0.65) HRH4HRH3
SCHEMBL4595498 0.69 HRH4 (0.68) HRH4HRH3
SCHEMBL4595075 0.69 HRH4 (0.68) HRH4HRH3
SCHEMBL604593 0.69 HRH4 (0.72) HRH4HRH3
SCHEMBL4740059 0.68 HRH4 (0.65) HRH4HRH3
SCHEMBL1534427 0.67 NOTUM (0.55)

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