SCHEMBL16229701

SCHEMBL16229701

CC(C)(C)OC(=O)N1C2CC2C[C@H]1c1nc2ccc3cc(C#Cc4ccc(-c5cnc([C@@H]6CC7CC7N6)[nH]5)cc4)ccc3c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.35
HPGDS O60760 3/20 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
SCHEMBL882833 0.93 HPGDS (0.34) SSTR3HPGDS
SCHEMBL13258510 0.88 GABRA1 (0.31)
SCHEMBL16229709 0.86 GABRA1 (0.35)
SCHEMBL12328003 0.85 HPGDS (0.36) SSTR3HPGDS
SCHEMBL19488595 0.83
SCHEMBL13221409 0.82 HPGDS (0.36) SSTR3HPGDS
SCHEMBL10201173 0.82 HPGDS (0.36) SSTR3HPGDS
SCHEMBL10202474 0.82 GABRA1 (0.35)
SCHEMBL12373653 0.82 GABRA1 (0.35)
SCHEMBL12147941 0.82 SSTR3 (0.42) SSTR3HPGDS

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
EP-2414350-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-12 EP disclosed