SCHEMBL12342145

SCHEMBL12342145

Cc1ncc(OC[C@@]2(c3cc(F)cc(F)c3)C[C@H]2C(=O)Nc2cc(C)c(C)cn2)c(C)n1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.80
HCRTR2 O43614 20/20 0.80
KCNH2 Q12809 6/20 0.80

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
SCHEMBL2116739 0.94 HCRTR1 (0.84) HCRTR1HCRTR2KCNH2
SCHEMBL12342143 0.91 HCRTR1 (0.89) HCRTR1HCRTR2KCNH2
SCHEMBL16638928 0.89 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2
SCHEMBL2118509 0.89 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2
SCHEMBL2116493 0.89 HCRTR1 (0.85) HCRTR1HCRTR2KCNH2
SCHEMBL2120259 0.88 HCRTR1 (0.87) HCRTR1HCRTR2KCNH2
SCHEMBL2610647 0.87 HCRTR1 (0.77) HCRTR1HCRTR2KCNH2
SCHEMBL2119220 0.87 HCRTR1 (0.82) HCRTR1HCRTR2KCNH2
SCHEMBL2117040 0.86 HCRTR1 (0.82) HCRTR1HCRTR2KCNH2
SCHEMBL2119127 0.86 HCRTR1 (0.87) 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
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed