SCHEMBL16638957

SCHEMBL16638957

Cc1ncc(N(C)C[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c(C)n1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.72
HCRTR2 O43614 20/20 0.72
KCNH2 Q12809 6/20 0.58

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
SCHEMBL2610693 0.93 HCRTR1 (0.71) HCRTR1HCRTR2KCNH2
SCHEMBL2610686 0.92 HCRTR1 (0.61) HCRTR1HCRTR2KCNH2
SCHEMBL2610679 0.88 HCRTR1 (0.58) HCRTR1HCRTR2KCNH2
SCHEMBL2610692 0.87 HCRTR1 (0.54) HCRTR1HCRTR2KCNH2
SCHEMBL2116844 0.84 HCRTR1 (0.51) HCRTR1HCRTR2KCNH2
SCHEMBL15161960 0.84 HCRTR1 (0.51) HCRTR1HCRTR2KCNH2
SCHEMBL15161959 0.84 HCRTR1 (0.51) HCRTR1HCRTR2KCNH2
SCHEMBL15161976 0.84 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2
SCHEMBL2117783 0.84 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2
SCHEMBL15161975 0.84 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2

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-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed