SCHEMBL16628792

SCHEMBL16628792

Cc1ncc(OCC2(c3ccccc3)CC2CO)c(C)n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.58
HCRTR2 O43614 20/20 0.58
KCNH2 Q12809 5/20 0.56

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
SCHEMBL2120632 1.00 HCRTR1 (0.58) HCRTR1HCRTR2KCNH2
SCHEMBL2610406 0.88 HCRTR1 (0.62) HCRTR1HCRTR2KCNH2
SCHEMBL2610418 0.88 HCRTR1 (0.55) HCRTR1HCRTR2KCNH2
SCHEMBL19124706 0.87 HCRTR1 (0.63) HCRTR1HCRTR2KCNH2
SCHEMBL22666389 0.87 HCRTR1 (0.63) HCRTR1HCRTR2KCNH2
SCHEMBL2116673 0.87 HCRTR1 (0.63) HCRTR1HCRTR2KCNH2
SCHEMBL29521573 0.87 HCRTR1 (0.63) HCRTR1HCRTR2KCNH2
SCHEMBL2119368 0.84 HCRTR1 (0.55) HCRTR1HCRTR2KCNH2
SCHEMBL2118701 0.84 HCRTR1 (0.49) HCRTR1HCRTR2KCNH2
SCHEMBL2610413 0.84 HCRTR1 (0.60) 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