SCHEMBL12683244

SCHEMBL12683244

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4c(c3)Oc3ccc(-c5ncc([C@@H]6CCCN6C(=O)OCc6ccccc6)[nH]5)cc3C4(C)C)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 8/20 0.37
▸ HCRTR2 O43614 8/20 0.37
▸ PRMT5 O14744 4/20 0.37
▸ CHEK2 O96017 1/20 0.36
▸ PRCP P42785 2/20 0.36
▸ GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL12683007 0.89 PRCP (0.43) PRCPGPR119
SCHEMBL15373639 0.86 ABCB1 (0.35) HCRTR1HCRTR2PRMT5CHEK2PRCP
SCHEMBL12682992 0.84 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL12683231 0.83 PRMT5 (0.38) HCRTR1HCRTR2PRMT5CHEK2PRCP
SCHEMBL12683162 0.81 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL15372096 0.81 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL12683161 0.80 KMT2A (0.38) HCRTR1HCRTR2CHEK2GPR119
SCHEMBL15373561 0.79 HDAC1 (0.36) PRMT5
SCHEMBL15443427 0.79 PRCP (0.51) HCRTR1HCRTR2PRCP
SCHEMBL12683153 0.78 HCRTR1 (0.35) HCRTR1HCRTR2PRMT5CHEK2PRCP

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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