SCHEMBL1698203

SCHEMBL1698203

CC(C)=CCC1CCc2cccnc21.CCC(C)C1CCc2cccnc21.CCC(CC)C1CCc2cccnc21.CCCC(C)C1CCc2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.34
KCNH2 Q12809 9/20 0.34

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
SCHEMBL1698224 0.90 OPRL1 (0.39) OPRL1KCNH2
SCHEMBL1698199 0.83 OPRL1 (0.36) OPRL1KCNH2
SCHEMBL1701122 0.81 CXCR4 (0.38) KCNH2
SCHEMBL1698219 0.79 DRD2 (0.38) OPRL1KCNH2
SCHEMBL1698206 0.79 OPRL1 (0.41) OPRL1KCNH2
SCHEMBL19435835 0.78 CXCR4 (0.40) OPRL1KCNH2
SCHEMBL1698223 0.77 OPRL1 (0.40) OPRL1KCNH2
SCHEMBL1698226 0.76 CXCR4 (0.41) KCNH2
SCHEMBL1698228 0.76 OPRL1 (0.40) OPRL1KCNH2
SCHEMBL1698196 0.73 CXCR4 (0.43) KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2584916-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2013-05-01 EP claimed
WO-2011161163-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-12-29 WO claimed
WO-2011160254-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-12-29 WO disclosed