SCHEMBL14134643

SCHEMBL14134643

Cc1ccc(CN(C)C2=CC(=O)OC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRA5 P31644 1/20 0.31
GAA P10253 1/20 0.30
NR3C2 P08235 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL29728033 0.85 ALDH1A1 (0.37)
SCHEMBL119406 0.85 ALDH1A1 (0.37)
SCHEMBL2886113 0.85 PARP1 (0.34) NR3C2
SCHEMBL17461315 0.84 GABRA1 (0.32) TSHRSMN1; SMN2GABRA1GABRA5
SCHEMBL2892825 0.83 KCNH2 (0.42) SMN1; SMN2GAA
SCHEMBL14134644 0.83 PDE10A (0.33) TSHRSMN1; SMN2PDE10A
SCHEMBL14995919 0.81
SCHEMBL2887187 0.81 CHRNB2 (0.50) NR3C2
SCHEMBL487449 0.81 CA1 (0.30)
SCHEMBL14995921 0.80 PDE3B (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481457-B2 Method for the improved use of the production potential of transgenic plants BAYER CROPSCIENCE AG (DE) 2013-07-09 US disclosed
US-8324130-B2 Synergistic active ingredient combinations BAYER CROPSCIENCE AG (DE) 2012-12-04 US disclosed