SCHEMBL16638925

SCHEMBL16638925

CCc1nc(C)ncc1COC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(C#N)cn1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.80
HCRTR1 O43613 19/20 0.80
CYP2C8 P10632 1/20 0.58
CYP2C19 P33261 1/20 0.58
KCNH2 Q12809 1/20 0.53

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
SCHEMBL2118622 0.89 HCRTR2 (1.00) HCRTR2HCRTR1CYP2C8CYP2C19KCNH2
SCHEMBL2116987 0.84 HCRTR2 (1.00) HCRTR2HCRTR1CYP2C8CYP2C19KCNH2
SCHEMBL2117063 0.80 HCRTR2 (0.86) HCRTR2HCRTR1CYP2C8CYP2C19KCNH2
SCHEMBL10189003 0.79 HCRTR2 (1.00) HCRTR2HCRTR1CYP2C8CYP2C19KCNH2
SCHEMBL10189011 0.78 HCRTR2 (1.00) HCRTR2HCRTR1CYP2C8CYP2C19KCNH2
SCHEMBL2610633 0.76 HCRTR2 (0.84) HCRTR2HCRTR1CYP2C8CYP2C19KCNH2
SCHEMBL2119190 0.76 HCRTR1 (0.85) HCRTR2HCRTR1KCNH2
SCHEMBL2122401 0.76 HCRTR1 (0.84) HCRTR2HCRTR1KCNH2
SCHEMBL12150161 0.76 HCRTR2 (0.83) HCRTR2HCRTR1KCNH2
SCHEMBL2610621 0.76 HCRTR2 (0.83) HCRTR2HCRTR1CYP2C8CYP2C19KCNH2

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