SCHEMBL6257972

SCHEMBL6257972

CCCCCCCCC1(C#N)CC2C=CC1C2

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL11702485 0.81 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL1698067 0.80 CYP2D6 (0.44) CYP2D6CYP2C19
SCHEMBL729641 0.69 GAA (0.33)
SCHEMBL11163084 0.68 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL19127216 0.67 GAA (0.30)
SCHEMBL11754682 0.67
SCHEMBL32688908 0.67 CYP2D6 (0.38) CYP2D6CYP2C19
SCHEMBL5359953 0.66 CYP2D6 (0.40) CYP2D6CYP2C19
SCHEMBL5360045 0.65 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL1141647 0.62 CYP2D6 (0.40) CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268499-B1 METHOD FOR POLYMERIZING POLAR SUBSTITUTED CYCLOALKENES LANXESS DEUTSCHLAND GMBH (DE) 2005-10-12 EP disclosed
US-6891007-B2 Method for polymerizing polar substituted cycloalkenes BAYER AKTIENGESELLSCHAFT (DE) 2005-05-10 US disclosed
US-20030120011-A1 Method for polymerizing polar substituted cycloalkenes LANXESS DEUTSCHLAND GMBH (DE) 2003-06-26 US disclosed
CN-1422276-A Process for polymerizing polar substituted cycloalkenes BAYER AG (DE) 2003-06-04 CN disclosed
EP-1268499-A1 METHOD FOR POLYMERIZING POLAR SUBSTITUTED CYCLOALKENES Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2001072760-A1 METHOD FOR POLYMERIZING POLAR SUBSTITUTED CYCLOALKENES BAYER AKTIENGESELLSCHAFT (DE) 2001-10-04 WO disclosed