SCHEMBL2931383

SCHEMBL2931383

NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.48
HCRTR2 O43614 7/20 0.48
KLRK1 P26718 2/20 0.41
MICA Q29983 2/20 0.41
RAET1L Q5VY80 1/20 0.41
MTTP P55157 5/20 0.39
GAA P10253 1/20 0.39
APOB P04114 3/20 0.39
ADAMTS7 Q9UKP4 1/20 0.38

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
SCHEMBL2925288 0.89 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3415834 0.89 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2930629 0.89 RORB (0.46) HCRTR1HCRTR2KLRK1MICARAET1L
SCHEMBL2930541 0.88 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3415643 0.88 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2924532 0.86 SLC6A4 (0.40) HCRTR1HCRTR2
SCHEMBL3417003 0.86 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2931897 0.86 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2931380 0.84 HCRTR1 (0.46) HCRTR1HCRTR2KLRK1MICARAET1L
SCHEMBL2931080 0.83 HCRTR1 (0.42) HCRTR1HCRTR2GAA

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