SCHEMBL16638956

SCHEMBL16638956

Cc1ncc(OC[C@@]2(c3ccc(Br)cc3)C[C@H]2C=O)c(C)n1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.48
HCRTR2 O43614 20/20 0.48
KCNH2 Q12809 6/20 0.48

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
SCHEMBL2118887 0.89 HCRTR1 (0.57) HCRTR1HCRTR2KCNH2
SCHEMBL2610414 0.82 HCRTR1 (0.59) HCRTR1HCRTR2KCNH2
SCHEMBL2116979 0.81 HCRTR1 (0.62) HCRTR1HCRTR2KCNH2
SCHEMBL22666392 0.81 HCRTR1 (0.62) HCRTR1HCRTR2KCNH2
SCHEMBL24533938 0.81 HCRTR1 (0.62) HCRTR1HCRTR2KCNH2
SCHEMBL2120155 0.79 HCRTR1 (0.55) HCRTR1HCRTR2KCNH2
SCHEMBL2610708 0.79 HCRTR1 (0.53) HCRTR1HCRTR2KCNH2
SCHEMBL2116858 0.78 HCRTR1 (0.49) HCRTR1HCRTR2KCNH2
SCHEMBL2610419 0.78 HCRTR1 (0.57) HCRTR1HCRTR2KCNH2
SCHEMBL15161917 0.76 HCRTR1 (0.61) 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