SCHEMBL12683153

SCHEMBL12683153

CC(C)(C)OC(=O)N1CSC[C@H]1c1cnc(-c2ccc3oc4cc(-c5ccc6nc([C@@H]7CCCN7C(=O)OCc7ccccc7)[nH]c6c5)ccc4c(=O)c3c2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 10/20 0.35
▸ HCRTR2 O43614 10/20 0.35
▸ PRMT5 O14744 2/20 0.35
▸ PREP P48147 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ AADAT Q8N5Z0 1/20 0.34
▸ PRCP P42785 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
SCHEMBL12683231 0.94 PRMT5 (0.38) HCRTR1HCRTR2PRMT5CHEK2GPR119
SCHEMBL15373642 0.83 HDAC3 (0.40) —
SCHEMBL15373550 0.81 HDAC3 (0.40) PRMT5CHEK2GPR119
SCHEMBL12683151 0.80 PRCP (0.42) PRMT5GPR119PRCP
SCHEMBL10170973 0.79 PRCP (0.48) GPR119PRCP
SCHEMBL12683244 0.78 HCRTR1 (0.37) HCRTR1HCRTR2PRMT5CHEK2GPR119
SCHEMBL12683010 0.78 PREP (0.39) HCRTR1HCRTR2PREPAADAT
SCHEMBL12683237 0.77 BACE1 (0.33) —
SCHEMBL15372098 0.77 HCRTR1 (0.40) HCRTR1HCRTR2PREPAADAT
SCHEMBL15443427 0.75 PRCP (0.51) HCRTR1HCRTR2PRCP

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-2012050918-A2 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICAL, INC. (US) 2012-04-19 — — WO disclosed
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