SCHEMBL12683162

SCHEMBL12683162

CC1(C)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Oc2ccc(-c3ncc([C@@H]4CCCN4C(=O)OCc4ccccc4)[nH]3)cc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.37
▸ HCRTR2 O43614 2/20 0.37
▸ PREP P48147 4/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ AADAT Q8N5Z0 1/20 0.35
▸ TMEM97 Q5BJF2 4/20 0.35
▸ SIGMAR1 Q99720 4/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33

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
SCHEMBL15372096 1.00 HCRTR1 (0.37) HCRTR1HCRTR2PREPDGAT1AADAT
SCHEMBL12682992 0.89 HCRTR1 (0.39) HCRTR1HCRTR2PREPAADATTMEM97
SCHEMBL12683007 0.84 PRCP (0.43) —
SCHEMBL12683244 0.81 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL2631645 0.77 PRCP (0.51) —
SCHEMBL6126944 0.77 PRCP (0.51) —
SCHEMBL13309251 0.77 PRCP (0.51) —
SCHEMBL12682914 0.76 NR1H2 (0.37) HCRTR1HCRTR2PREPAADATTMEM97
SCHEMBL8748850 0.76 PRCP (0.52) —
SCHEMBL15373561 0.76 HDAC1 (0.36) —

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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