SCHEMBL9968069

SCHEMBL9968069

Cn1c2ccc(CC(C)(C)C)nc2c2nc(CC(C)(C)C)ccc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 2/20 0.31
GAA P10253 1/20 0.30
PKM P14618 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
SCHEMBL9968126 0.87 PDE10A (0.44) PDE10AMEN1KMT2AGAAPKM
SCHEMBL9968096 0.85 GPR3 (0.44) MEN1KMT2AGAA
SCHEMBL9968077 0.83 MAPT (0.38) MEN1KMT2AGAA
SCHEMBL4585202 0.77 CCR1 (0.50) PDE10A
SCHEMBL2476938 0.68 KCNH2 (0.41) MEN1KMT2AGAAPKM
SCHEMBL21324871 0.67 ESR1 (0.39)
SCHEMBL12382861 0.66 CCR1 (0.52) MEN1KMT2AGAA
SCHEMBL17921511 0.66 CCR1 (0.55) PDE10AGAA
SCHEMBL14094659 0.66 FAAH (0.40) PDE10A
SCHEMBL12776030 0.66 PDE10A (0.41) PDE10AMEN1KMT2A

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-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed