SCHEMBL2931040

SCHEMBL2931040

Cc1cccc(C(=O)N2C[C@H]3C[C@H]3[C@H]2CN)c1-c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 11/20 0.40
HCRTR1 O43613 9/20 0.40
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.34
GRM5 P41594 3/20 0.34
PDE4B Q07343 1/20 0.34
PIK3CD O00329 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
SCHEMBL2931914 0.91 HCRTR2 (0.39) HCRTR2HCRTR1MEN1POLBKMT2A
SCHEMBL2928151 0.89 HCRTR2 (0.35) HCRTR2HCRTR1
SCHEMBL2924244 0.88 CYP46A1 (0.39) HCRTR2HCRTR1PIK3CD
SCHEMBL2930074 0.88 SLC6A7 (0.35) HCRTR2HCRTR1GRM5PDE4B
SCHEMBL2925368 0.87 HCRTR1 (0.41) HCRTR2HCRTR1
SCHEMBL2933639 0.86 PAX8 (0.39)
SCHEMBL2931039 0.85 HCRTR2 (0.39) HCRTR2HCRTR1HSD17B10GRM5PDE4B
SCHEMBL3416000 0.85 HCRTR1 (0.50) HCRTR2HCRTR1GRM5
SCHEMBL2923507 0.85 PAX8 (0.39) HCRTR2HCRTR1
SCHEMBL2930955 0.85 HCRTR2 (0.38) HCRTR2HCRTR1POLBPIK3CD

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