SCHEMBL10000801

SCHEMBL10000801

Cc1ccc(C2(C#N)CCC(C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.58
CCR2 P41597 1/20 0.39
CYP2D6 P10635 1/20 0.37

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
SCHEMBL21376918 0.90 OPRM1 (0.53) OPRM1CCR2CYP2D6
SCHEMBL1020434 0.85 OPRM1 (0.70) OPRM1
SCHEMBL22241035 0.84 HSD11B1 (0.45) OPRM1CYP2D6
SCHEMBL17761262 0.84 CYP2D6 (0.49) OPRM1CCR2CYP2D6
SCHEMBL16591279 0.84 CYP2D6 (0.49) OPRM1CCR2CYP2D6
SCHEMBL13450003 0.84 OPRM1 (0.49) OPRM1CYP2D6
SCHEMBL9683897 0.81 OPRM1 (0.62) OPRM1CYP2D6
SCHEMBL625524 0.81 OPRM1 (0.66) OPRM1
SCHEMBL2441730 0.81 OPRM1 (0.66) OPRM1
SCHEMBL17146951 0.81 OPRM1 (0.38) OPRM1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
EP-2423294-A1 Switch element comprising a liquid-crystalline medium Merck Patent GmbH (DE) 2012-02-29 EP disclosed