SCHEMBL9968071

SCHEMBL9968071

CCC(C)c1cc2c3cc(C(C)CC)ncc3n(C)c2cn1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 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
SCHEMBL9968087 0.88 AAK1 (0.40) AAK1
SCHEMBL9968104 0.86
SCHEMBL9968129 0.72 MAOA (0.39) AAK1
SCHEMBL6468190 0.71 ESR1 (0.36)
SCHEMBL18931228 0.69 NOS3 (0.40)
SCHEMBL22661954 0.68 ESR1 (0.33)
SCHEMBL9968095 0.67 TOP2A (0.38) AAK1
SCHEMBL14669294 0.67 NOS3 (0.35)
SCHEMBL9968161 0.67 ALDH1A1 (0.44)
SCHEMBL9968078 0.66 AAK1 (0.30) AAK1

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