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SCHEMBL2930955

SCHEMBL2930955

Cc1ccc(-c2c(C)cccc2C(=O)N2C[C@H]3C[C@H]3[C@H]2CN)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 13/20 0.38
▸ HCRTR1 O43613 12/20 0.36
▸ POLB P06746 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ CYP46A1 Q9Y6A2 1/20 0.35
▸ PRCP P42785 1/20 0.34
▸ APOB P04114 1/20 0.33
▸ MTTP P55157 1/20 0.33
▸ TP53 P04637 1/20 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
SCHEMBL2931914 0.92 HCRTR2 (0.39) HCRTR2HCRTR1POLBPIK3CDCYP46A1
SCHEMBL2924244 0.92 CYP46A1 (0.39) HCRTR2HCRTR1PIK3CDCYP46A1PRCP
SCHEMBL2928151 0.86 HCRTR2 (0.35) HCRTR2HCRTR1
SCHEMBL2930744 0.86 HCRTR2 (0.37) HCRTR2HCRTR1PIK3CDCYP46A1PRCP
SCHEMBL2931897 0.85 HCRTR1 (0.45) HCRTR2HCRTR1
SCHEMBL3417003 0.85 HCRTR1 (0.45) HCRTR2HCRTR1
SCHEMBL2931040 0.85 HCRTR2 (0.40) HCRTR2HCRTR1POLBPIK3CD
SCHEMBL2930074 0.85 SLC6A7 (0.35) HCRTR2HCRTR1
SCHEMBL2932494 0.84 HCRTR2 (0.38) HCRTR2HCRTR1POLBCYP46A1
SCHEMBL2930954 0.84 POLB (0.39) HCRTR2HCRTR1POLBPIK3CDCYP46A1

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-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 — — EP disclosed