SCHEMBL16638920

SCHEMBL16638920

Cc1ncc(CC[C@@]2(c3ccccc3)CC2O)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.41
HCRTR2 O43614 19/20 0.41
KCNH2 Q12809 4/20 0.40
OPRL1 P41146 1/20 0.32

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
SCHEMBL2116752 0.86 HCRTR1 (0.40) HCRTR1HCRTR2KCNH2
SCHEMBL2610464 0.86 HCRTR1 (0.40) HCRTR1HCRTR2KCNH2
SCHEMBL16628838 0.86 HCRTR1 (0.40) HCRTR1HCRTR2KCNH2
SCHEMBL2116748 0.86 HCRTR1 (0.40) HCRTR1HCRTR2KCNH2
SCHEMBL2610465 0.85 HCRTR1 (0.48) HCRTR1HCRTR2KCNH2
SCHEMBL2116937 0.85 HCRTR1 (0.48) HCRTR1HCRTR2KCNH2
SCHEMBL15177872 0.82 HCRTR1 (0.39) HCRTR1HCRTR2KCNH2OPRL1
SCHEMBL15177871 0.82 HCRTR1 (0.45) HCRTR1HCRTR2KCNH2
SCHEMBL2610688 0.75 HCRTR1 (0.52) HCRTR1HCRTR2KCNH2
SCHEMBL2118936 0.74 HCRTR1 (0.73) 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